| SpectraBase Compound ID | ECNFFGJWaAF |
|---|---|
| InChI | InChI=1S/C9H18OS/c1-4-5-7-11-8-6-9(2,3)10/h6,8,10H,4-5,7H2,1-3H3/b8-6- |
| InChIKey | YQXMPGVYQHIRTP-VURMDHGXSA-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 | GgNDDZV8pVt |
|---|---|
| Name | 1-N-Butylthio-3-methyl-1(Z)-buten-3-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/c1-4-5-7-11-8-6-9(2,3)10/h6,8,10H,4-5,7H2,1-3H3/b8-6- |
| InChIKey | YQXMPGVYQHIRTP-VURMDHGXSA-N |
| Molecular Weight | 174.302 g/mol |
| SMILES | C(\C=C/SCCCC)(O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974653 |