| SpectraBase Compound ID | DfG5bO9xrAU |
|---|---|
| InChI | InChI=1S/C14H12S/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2 |
| InChIKey | WGNHYOSRJXYRMI-UHFFFAOYSA-N |
| Mol Weight | 212.31 g/mol |
| Molecular Formula | C14H12S |
| Exact Mass | 212.065972 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AOMrQZLTKeg |
|---|---|
| Name | 1,2-Diphenylethanethione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.065971560 u |
| Formula | C14H12S |
| InChI | InChI=1S/C14H12S/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2 |
| InChIKey | WGNHYOSRJXYRMI-UHFFFAOYSA-N |
| Molecular Weight | 212.310 g/mol |
| SMILES | C(C(=S)C1=CC=CC=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963423 |