| SpectraBase Compound ID | GaLKOFvPtX2 |
|---|---|
| InChI | InChI=1S/C6H12O2S/c1-3-9-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
| InChIKey | CFYGRPLJFXVZKY-UHFFFAOYSA-N |
| Mol Weight | 148.22 g/mol |
| Molecular Formula | C6H12O2S |
| Exact Mass | 148.055801 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | H4yKdwD7ibW |
|---|---|
| Name | Butyric acid, 3-(ethylthio)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.055800798 u |
| Formula | C6H12O2S |
| InChI | InChI=1S/C6H12O2S/c1-3-9-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
| InChIKey | CFYGRPLJFXVZKY-UHFFFAOYSA-N |
| SMILES | OC(CC(C)SCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.943842 |