| SpectraBase Spectrum ID |
FGOiNeQc2sm |
| Name |
(Methylthio)methanethioic acid o-(4-phenylphenyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.032957353 u |
| Formula |
C14H12OS2 |
| InChI |
InChI=1S/C14H12OS2/c1-17-14(16)15-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3 |
| InChIKey |
XHEHOWHPFDRRKV-UHFFFAOYSA-N |
| Molecular Weight |
260.369 g/mol |
| SMILES |
C(=S)(OC=1C=CC(=CC1)C=1C=CC=CC1)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89818 |
