| SpectraBase Spectrum ID |
6OrvJatySCb |
| Name |
p-[2,5-Dioxo-3-(p-tolylthio)-1-pyrrolidinyl]benzoic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
369.103479266 u |
| Formula |
C20H19NO4S |
| InChI |
InChI=1S/C20H19NO4S/c1-3-25-20(24)14-6-8-15(9-7-14)21-18(22)12-17(19(21)23)26-16-10-4-13(2)5-11-16/h4-11,17H,3,12H2,1-2H3 |
| InChIKey |
FXQKSXOIJNVTAH-UHFFFAOYSA-N |
| Molecular Weight |
369.435 g/mol |
| SMILES |
C=1C(=CC=C(C1)C)SC1C(N(C(C1)=O)C=1C=CC(=CC1)C(OCC)=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.730147 |
![p-[2,5-Dioxo-3-(p-tolylthio)-1-pyrrolidinyl]benzoic acid, ethyl ester](/api/spectrum/6OrvJatySCb/structure.png?h=300&w=458 "p-[2,5-Dioxo-3-(p-tolylthio)-1-pyrrolidinyl]benzoic acid, ethyl ester")
