| SpectraBase Spectrum ID |
7NkeWdiowhz |
| Name |
Ethyl 3-(4-methoxyphenyl)-3-hydroxypropanedithioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.059172101 u |
| Formula |
C12H16O2S2 |
| InChI |
InChI=1S/C12H16O2S2/c1-3-16-12(15)8-11(13)9-4-6-10(14-2)7-5-9/h4-7,11,13H,3,8H2,1-2H3 |
| InChIKey |
SIELEFMWAGXCQJ-UHFFFAOYSA-N |
| Molecular Weight |
256.378 g/mol |
| SMILES |
C(CC(O)C=1C=CC(=CC1)OC)(SCC)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951802 |
