| SpectraBase Spectrum ID |
9xHAZfM0gkX |
| Name |
2-Methyl-3-(phenylthio)propanoic acid propan-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.102750992 u |
| Formula |
C13H18O2S |
| InChI |
InChI=1S/C13H18O2S/c1-10(2)15-13(14)11(3)9-16-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3 |
| InChIKey |
JHLSGICBZCCQLZ-UHFFFAOYSA-N |
| Molecular Weight |
238.345 g/mol |
| SMILES |
C(C(CSC1=CC=CC=C1)C)(=O)OC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876099 |
