| SpectraBase Spectrum ID |
CJUouP7jyby |
| Name |
Vinyl 3-(4-methoxyphenyl)-3-oxopropanedithioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.027871972 u |
| Formula |
C12H12O2S2 |
| InChI |
InChI=1S/C12H12O2S2/c1-3-16-12(15)8-11(13)9-4-6-10(14-2)7-5-9/h3-7H,1,8H2,2H3 |
| InChIKey |
WOQXVBUINYOXBP-UHFFFAOYSA-N |
| Molecular Weight |
252.346 g/mol |
| SMILES |
C(C(C1=CC=C(C=C1)OC)=O)C(=S)SC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924603 |
