| SpectraBase Spectrum ID |
60RuX7pY9ek |
| Name |
Methyl N-(carbobenzyloxy)-2-[(E)-(2-p-toluenesulfonyl)ethenyl]indoline-6-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
491.140258697 u |
| Formula |
C27H25NO6S |
| InChI |
InChI=1S/C27H25NO6S/c1-19-7-6-10-24(15-19)35(31,32)14-13-23-16-21-11-12-22(26(29)33-2)17-25(21)28(23)27(30)34-18-20-8-4-3-5-9-20/h3-15,17,23H,16,18H2,1-2H3/b14-13+ |
| InChIKey |
UTAFSMVTGXINFV-BUHFOSPRSA-N |
| Molecular Weight |
491.558 g/mol |
| SMILES |
C1=2N(C(CC2C=CC(=C1)C(=O)OC)\C=C\S(C1=CC(C)=CC=C1)(=O)=O)C(OCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848591 |
![Methyl N-(carbobenzyloxy)-2-[(E)-(2-p-toluenesulfonyl)ethenyl]indoline-6-carboxylate](/api/spectrum/60RuX7pY9ek/structure.png?h=300&w=458 "Methyl N-(carbobenzyloxy)-2-[(E)-(2-p-toluenesulfonyl)ethenyl]indoline-6-carboxylate")
