| SpectraBase Compound ID | DUs2Fo9Bpor |
|---|---|
| InChI | InChI=1S/C10H10OS/c1-8(12)7-10(11)9-5-3-2-4-6-9/h2-7,12H,1H3/b8-7- |
| InChIKey | RKHRNKOTBONQAO-FPLPWBNLSA-N |
| Mol Weight | 178.25 g/mol |
| Molecular Formula | C10H10OS |
| Exact Mass | 178.045236 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JoGMyQ3hDzZ |
|---|---|
| Name | 3-Mercapto-1-phenylbut-2-en-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.045236115 u |
| Formula | C10H10OS |
| InChI | InChI=1S/C10H10OS/c1-8(12)7-10(11)9-5-3-2-4-6-9/h2-7,12H,1H3/b8-7- |
| InChIKey | RKHRNKOTBONQAO-FPLPWBNLSA-N |
| Molecular Weight | 178.249 g/mol |
| SMILES | C\C(S)=C\C(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.894902 |