| SpectraBase Compound ID | 3hfbhkztdj8 |
|---|---|
| InChI | InChI=1S/C9H18OS/c1-8(2,3)11-7-6-9(4,5)10/h6-7,10H,1-5H3/b7-6- |
| InChIKey | ZZABVAGKNGXHDR-SREVYHEPSA-N |
| Mol Weight | 174.3 g/mol |
| Molecular Formula | C9H18OS |
| Exact Mass | 174.107836 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | A8ot8qQXyKj |
|---|---|
| Name | (3Z)-4-(Tert-butylsulfanyl)-2-methyl-3-buten-2-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.107836373 u |
| Formula | C9H18OS |
| InChI | InChI=1S/C9H18OS/c1-8(2,3)11-7-6-9(4,5)10/h6-7,10H,1-5H3/b7-6- |
| InChIKey | ZZABVAGKNGXHDR-SREVYHEPSA-N |
| Molecular Weight | 174.302 g/mol |
| SMILES | C(S\C=C/C(O)(C)C)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975148 |