| SpectraBase Compound ID | AbJH7dXAnds |
|---|---|
| InChI | InChI=1S/C13H12S/c1-10-6-2-3-7-11(10)12-8-4-5-9-13(12)14/h2-9,14H,1H3 |
| InChIKey | KOQGXYGQUONZGY-UHFFFAOYSA-N |
| Mol Weight | 200.3 g/mol |
| Molecular Formula | C13H12S |
| Exact Mass | 200.065972 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2Ph7zfYDx6w |
|---|---|
| Name | 2-(2-Methylphenyl)benzenethiol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.065971560 u |
| Formula | C13H12S |
| InChI | InChI=1S/C13H12S/c1-10-6-2-3-7-11(10)12-8-4-5-9-13(12)14/h2-9,14H,1H3 |
| InChIKey | KOQGXYGQUONZGY-UHFFFAOYSA-N |
| Molecular Weight | 200.299 g/mol |
| SMILES | C=1(C2=C(C)C=CC=C2)C(S)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931646 |