| SpectraBase Spectrum ID |
1BwU9rmjUdn |
| Name |
3-Methyl-2-phenacylidon-thiazolidin-4-on |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
233.051049770 u |
| Formula |
C12H11NO2S |
| InChI |
InChI=1S/C12H11NO2S/c1-13-11(15)8-16-12(13)7-10(14)9-5-3-2-4-6-9/h2-7H,8H2,1H3/b12-7- |
| InChIKey |
SVEWKVXLGHGLIT-GHXNOFRVSA-N |
| Molecular Weight |
233.285 g/mol |
| SMILES |
C1C(N(C)\C(S1)=C\C(C1=CC=CC=C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893508 |
