| SpectraBase Spectrum ID |
JUsrhPjy4kx |
| Name |
2-Propen-1-one, 3,3-dimercapto-1-(2-methylphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
210.017307289 u |
| Formula |
C10H10OS2 |
| InChI |
InChI=1S/C10H10OS2/c1-7-4-2-3-5-8(7)9(11)6-10(12)13/h2-6,12-13H,1H3 |
| InChIKey |
VEJIBWAZJGUBHM-UHFFFAOYSA-N |
| Molecular Weight |
210.309 g/mol |
| SMILES |
C(C(C=1C(C)=CC=CC1)=O)=C(S)S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864682 |
