| SpectraBase Compound ID | LdwzuxnQiJS |
|---|---|
| InChI | InChI=1S/C13H10OS2/c15-13(14-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H |
| InChIKey | GGMYKFODAVNSDF-UHFFFAOYSA-N |
| Mol Weight | 246.34 g/mol |
| Molecular Formula | C13H10OS2 |
| Exact Mass | 246.017307 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ITbQI92WxdD |
|---|---|
| Name | Carbonodithioic acid, o,S-diphenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.017307289 u |
| Formula | C13H10OS2 |
| InChI | InChI=1S/C13H10OS2/c15-13(14-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H |
| InChIKey | GGMYKFODAVNSDF-UHFFFAOYSA-N |
| Molecular Weight | 246.342 g/mol |
| SMILES | C(OC1=CC=CC=C1)(SC1=CC=CC=C1)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.806137 |