| SpectraBase Spectrum ID |
5rb12cbT7uh |
| Name |
Benzenepropanimidothioic acid, .alpha.-(acetyloxy)-4-methyl-.beta.-oxo-N-phenyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.108564647 u |
| Formula |
C19H19NO3S |
| InChI |
InChI=1S/C19H19NO3S/c1-13-9-11-15(12-10-13)17(22)18(23-14(2)21)19(24-3)20-16-7-5-4-6-8-16/h4-12,18H,1-3H3/b20-19- |
| InChIKey |
PRHKVMWUCRPMJT-VXPUYCOJSA-N |
| Molecular Weight |
341.425 g/mol |
| SMILES |
C(\C(=N\C=1C=CC=CC1)SC)(C(C1=CC=C(C=C1)C)=O)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88195 |
