| SpectraBase Compound ID | GS7vH9LfDjf |
|---|---|
| InChI | InChI=1S/C10H12OS/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,5-7,9,11H,4,8H2/b9-5+ |
| InChIKey | PWXMYZKZMIDKGY-WEVVVXLNSA-N |
| Mol Weight | 180.26 g/mol |
| Molecular Formula | C10H12OS |
| Exact Mass | 180.060886 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I1THAhvDMnD |
|---|---|
| Name | (Z/E)-4-Phenylsulfanyl-3-buten-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.060886179 u |
| Formula | C10H12OS |
| InChI | InChI=1S/C10H12OS/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,5-7,9,11H,4,8H2/b9-5+ |
| InChIKey | PWXMYZKZMIDKGY-WEVVVXLNSA-N |
| Molecular Weight | 180.265 g/mol |
| SMILES | C=1C=C(S\C=C\CCO)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.849625 |