| SpectraBase Spectrum ID |
DzfuZSPPQJI |
| Name |
N-(Carbobenzyloxy)-6-methyl-2-[(E)-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 |
447.150429459 u |
| Formula |
C26H25NO4S |
| InChI |
InChI=1S/C26H25NO4S/c1-19-9-12-24(13-10-19)32(29,30)15-14-23-17-22-11-8-20(2)16-25(22)27(23)26(28)31-18-21-6-4-3-5-7-21/h3-16,23H,17-18H2,1-2H3/b15-14+ |
| InChIKey |
AINXMXZROUENAE-CCEZHUSRSA-N |
| Molecular Weight |
447.549 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84962 |
![N-(Carbobenzyloxy)-6-methyl-2-[(E)-2-(p-toluenesulfonyl)ethenyl]indoline](/api/spectrum/DzfuZSPPQJI/structure.png?h=300&w=458 "N-(Carbobenzyloxy)-6-methyl-2-[(E)-2-(p-toluenesulfonyl)ethenyl]indoline")
