espectros paper new - Royal Society of Chemistry · 13C NMR: CDCl 3 DEPT 180 170 160 150 140 130...

Imine 4a

NHN

O

IR (KBr)

1H NMR: CDCl3

1.01.52.02.53.03.54.04.55.05.56.06.57.07.58.08.59.09.5 ppm

1.948

3.519

3.537

3.556

3.575

3.670

3.689

3.707

7.272

7.390

7.398

7.407

7.413

7.508

7.689

7.698

7.714

7.720

7.835

7.840

8.275

0.097

3.121

2.249

1.977

0.922

3.067

0.418

1.953

0.380

1.000

Electronic Supplementary Material (ESI) for Organic & Biomolecular ChemistryThis journal is © The Royal Society of Chemistry 2012

13C NMR: CDCl3

DEPT

180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 ppm

23.108

40.190

60.173

76.570

76.994

77.418

127.998

128.520

128.848

129.583

130.810

135.642

162.713

170.193

180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 ppm

23.660

40.742

60.725

128.548

129.071

129.398

130.133

131.360

163.263


Imine 4b

NHN

OHO

IR (KBr):

1H NMR: CDCl3

2.02.53.03.54.04.55.05.56.06.57.07.58.08.5 ppm

1.962

3.527

3.546

3.564

3.641

3.661

3.678

3.684

3.708

6.247

6.845

6.873

7.274

7.546

7.575

8.174

3.378

2.047

2.593

1.105

1.777

0.196

1.931

1.000


13C NMR: CDCl3

DEPT

102030405060708090100110120130140150160170180190 ppm

23.163

40.431

59.898

76.561

76.986

77.409

115.808

127.135

129.992

160.142

162.893

170.571

102030405060708090100110120130140150160170180190 ppm

23.659

40.928

60.394

116.304

130.489

163.387


Imine 4c

NHN

OMeO

IR (KBr)

1H NMR: CDCl3

9.0 8.5 8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm

1.819

1.994

3.489

3.549

3.567

3.586

3.604

3.671

3.689

3.706

3.709

3.862

3.905

6.934

6.940

6.963

7.276

7.669

7.676

7.698

8.246

0.137

1.411

3.272

2.437

2.039

3.019

0.948

1.946

0.464

1.924

1.000


13C NMR: CDCl3

DEPT


Imine 4d

NHN

OMeOOC

IR (KBr)

1H NMR: CDCl3

9.5 9.0 8.5 8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm

1.647

1.861

1.968

2.026

2.075

2.286

2.363

2.446

3.388

3.528

3.537

3.553

3.583

3.611

3.700

3.720

3.727

3.733

3.757

3.801

3.865

3.883

3.890

3.908

3.936

3.992

4.015

4.273

4.486

6.082

7.262

7.703

7.745

7.753

7.778

7.787

7.900

7.933

7.942

7.970

7.998

8.035

8.043

8.068

8.077

8.149

8.190

8.300

8.328

3.00

2.14

2.03

3.30

0.92

2.02

2.24

1.06


13C NMR: CDCl3

DEPT

102030405060708090100110120130140150160170180190200 ppm

23.715

40.654

52.716

60.920

77.060

77.484

77.908

128.424

130.286

132.421

140.051

162.219

166.965

170.667

200 180 160 140 120 100 80 60 40 20 0 ppm

23.715

40.656

52.715

60.921

128.424

130.285

162.215


Amine 5a

NH

NH2

COOH

2 HCl

IR (KBr)

1H NMR: D2O

1.01.52.02.53.03.54.04.55.05.56.06.57.07.58.08.59.09.5 ppm

3.187

3.214

3.240

3.249

3.262

3.269

3.285

3.290

3.295

3.306

3.332

4.691

4.938

7.366

7.376

7.388

7.394

7.404

7.409

7.417

7.424

7.434

7.442

4.132

1.027

5.000


13C NMR:D2O

DEPT

102030405060708090100110120130140150160170180190200 ppm

35.790

43.131

64.943

129.015

130.189

130.418

131.065

170.917

2030405060708090100110120130140150160170180 ppm

35.793

43.135

64.948

129.019

130.193

131.071


Amine 5b

NH

NH2

COOH

2 HClHO

IR (KBr)

1H RMN: D2O

2.53.03.54.04.55.05.56.06.57.07.58.08.5 ppm

3.253

3.269

3.287

4.685

4.872

6.869

6.897

7.254

7.282

4.099

13.096

1.290

1.990

2.000


13C RMN: D2O

DEPT

2030405060708090100110120130140150160170180190 ppm

35.851

42.911

64.583

116.874

122.135

130.937

157.887

171.299

200 180 160 140 120 100 80 60 40 20 0 ppm

35.846

42.911

64.584

116.873

130.938


Amine 5c

NH

NH2

COOH

2 HClMeO

IR (KBr)

1H NMR:D2O

9 8 7 6 5 4 3 2 1 ppm

3.145

3.163

3.191

3.196

3.202

3.204

3.206

3.210

3.226

3.235

3.249

3.257

3.271

3.275

3.303

3.323

3.326

3.729

4.939

6.960

6.990

7.308

7.337

4.723

2.998

22.474

1.103

2.010

2.000


13C NMR:D2O

DEPT

200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 ppm

22.184

35.871

42.956

55.893

64.325

115.510

115.581

122.505

130.804

160.955

171.024

210 200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 ppm

35.865

42.952

55.885

64.319

115.507

115.576

130.802


Amine 5d

NH

NH2

COOH

2 HClHOOC

IR (KBr)

1H NMR: D2O

9.5 9.0 8.5 8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 ppm

3.114

3.143

3.180

3.193

3.208

3.218

3.233

3.243

3.262

3.298

3.328

4.635

4.741

4.842

7.410

7.452

7.915

7.957

0.27

4.00

23.25

1.24

1.84

1.90


13C NMR: D2O

DEPT


Aminoacid 1a

NHHOOC

HNCOOH

HO

IR (KBr)

1H NMR: D2O/Na2CO3

1.52.02.53.03.54.04.55.05.56.06.57.07.58.08.59.09.5 ppm

2.585

2.605

2.626

2.638

2.657

2.677

2.694

2.711

2.733

2.752

2.795

2.828

4.066

4.078

4.426

4.776

6.705

6.732

6.765

6.768

7.104

7.136

7.141

7.167

7.279

7.288

7.300

7.310

7.320

7.341

4.000

1.095

0.899

2.043

2.124

5.091


13C NMR: D2O/Na2CO3

DEPT

200 180 160 140 120 100 80 60 40 20 0 ppm

44.905

45.166

45.408

45.599

64.525

64.695

67.473

117.417

118.379

118.513

123.288

127.430

127.519

127.854

128.874

129.639

129.688

129.788

139.500

158.483

158.688

164.317

177.101

179.442

200 180 160 140 120 100 80 60 40 20 0 ppm

44.782

45.055

45.295

45.491

64.359

64.543

67.407

117.365

118.316

118.448

127.359

127.455

127.826

128.834

129.633

129.685

129.744


ESI-MS Amino acids 1b

NHHOOC

HNCOOH

HO

HO

IR (KBr)


1H NMR: D2O/Na2CO3

13C NMR: D2O/Na2CO3

1.01.52.02.53.03.54.04.55.05.56.06.57.07.58.08.59.0 ppm

2.569

2.586

2.617

2.654

2.678

2.701

2.728

2.744

2.767

2.781

2.798

3.942

3.962

4.353

4.407

6.577

6.603

6.669

6.694

6.708

6.735

7.005

7.035

7.072

7.097

7.124

7.149

4.000

0.330

0.887

1.323

30.512

0.127

4.248

4.258

2030405060708090100110120130140150160170180190 ppm

38.325

38.574

38.750

38.895

57.743

60.541

111.251

111.505

111.861

117.299

119.332

120.196

122.687

123.117

150.844

152.879

156.185

160.001

170.939

173.737

186.965


DEPT

ESI-MS

180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 ppm

38.338

38.578

38.747

38.898

57.652

57.795

60.394

111.356

111.437

111.625

111.735

122.601

122.682

123.275

123.341


Aminoacid 1c

NHHOOC

HNCOOH

HO

MeO

IR (KBr)

1H NMR: D2O/Na2CO3

1.01.52.02.53.03.54.04.55.05.56.06.57.07.58.08.59.09.5 ppm

2.676

2.703

2.719

2.768

3.796

4.093

4.111

4.373

4.460

6.758

6.799

6.820

6.857

6.924

6.963

7.144

7.177

7.215

7.249

7.285

2.77

3.06

0.84

0.95

15.00

0.06

4.32

4.00


13C NMR: D2O/Na2CO3

DEPT

210 200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 ppm

44.563

44.807

45.192

45.389

55.545

64.462

64.611

66.645

114.348

116.527

117.275

118.851

123.046

128.507

128.906

128.991

129.778

129.977

131.480

131.737

158.480

163.157

176.855

179.005

210 200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 ppm

3.575

44.467

44.727

45.114

45.325

64.345

64.503

66.591

114.307

117.237

118.828

128.870

128.959

129.777

129.953


ESI-MS

Aminoacids 1d

NHHOOC

HNCOOH

HO

HOOC

IR (KBr)


1H NMR: D2O/Na2CO3

13C NMR: D2O/Na2CO3

1.01.52.02.53.03.54.04.55.05.56.06.57.07.58.08.59.09.5 ppm

2.486

2.509

2.541

2.594

2.648

2.692

4.018

4.033

4.278

4.336

6.612

6.638

6.662

6.973

6.998

7.073

7.223

7.247

7.667

7.693

4.000

1.083

0.902

53.350

2.068

4.569

2.263

200 190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 ppm

45.040

45.636

45.265

45.772

64.662

67.492

117.724

118.688

123.718

127.501

127.599

129.585

130.121

135.818

142.983

158.937

175.774

177.298

179.476


DEPT

ESI-MS

190 180 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 ppm

45.277

45.767

64.534

64.649

67.532

117.717

118.579

118.685

127.495

127.590

129.372

129.578

130.120


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espectros paper new - Royal Society of Chemistry · 13C NMR: CDCl 3 DEPT 180 170 160 150 140 130...

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