| SpectraBase Compound ID | BZUSEKZagOS |
|---|---|
| InChI | InChI=1S/C9H18O2S/c1-2-3-7-12-8-5-4-6-9(10)11/h2-8H2,1H3,(H,10,11) |
| InChIKey | DEXRYJONMBFJJE-UHFFFAOYSA-N |
| Mol Weight | 190.3 g/mol |
| Molecular Formula | C9H18O2S |
| Exact Mass | 190.102751 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J8wDI1h6EZq |
|---|---|
| Name | 5-(Butylsulfanyl)pentanoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.102750992 u |
| Formula | C9H18O2S |
| InChI | InChI=1S/C9H18O2S/c1-2-3-7-12-8-5-4-6-9(10)11/h2-8H2,1H3,(H,10,11) |
| InChIKey | DEXRYJONMBFJJE-UHFFFAOYSA-N |
| Molecular Weight | 190.301 g/mol |
| SMILES | C(=O)(O)CCCCSCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.986495 |