| SpectraBase Spectrum ID |
B7n2nlWoj4G |
| Name |
N-(Carbobenzyloxy)-6-methyl-2-[(E)-1-methyl-2-(p-toluenesulfonyl)ethenyl]indoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
461.166079523 u |
| Formula |
C27H27NO4S |
| InChI |
InChI=1S/C27H27NO4S/c1-19-10-13-24(14-11-19)33(30,31)18-21(3)25-16-23-12-9-20(2)15-26(23)28(25)27(29)32-17-22-7-5-4-6-8-22/h4-15,18,25H,16-17H2,1-3H3/b21-18+ |
| InChIKey |
ZJMAKYRMKZTYKX-DYTRJAOYSA-N |
| Molecular Weight |
461.576 g/mol |
| SMILES |
C1(N(C=2C=C(C=CC2C1)C)C(=O)OCC=1C=CC=CC1)\C(=C\S(=O)(=O)C=1C=CC(=CC1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91087 |
![N-(Carbobenzyloxy)-6-methyl-2-[(E)-1-methyl-2-(p-toluenesulfonyl)ethenyl]indoline](/api/spectrum/B7n2nlWoj4G/structure.png?h=300&w=458 "N-(Carbobenzyloxy)-6-methyl-2-[(E)-1-methyl-2-(p-toluenesulfonyl)ethenyl]indoline")
