| SpectraBase Compound ID | KjY9iWseMO1 |
|---|---|
| InChI | InChI=1S/C5H10OS/c1-3-7-4-5(2)6/h3-4H2,1-2H3 |
| InChIKey | ZKDXKBIOEVBFGV-UHFFFAOYSA-N |
| Mol Weight | 118.19 g/mol |
| Molecular Formula | C5H10OS |
| Exact Mass | 118.045236 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8L4jDt1t3Ii |
|---|---|
| Name | 1-(Ethylthio)-2-propanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 118.045236115 u |
| Formula | C5H10OS |
| InChI | InChI=1S/C5H10OS/c1-3-7-4-5(2)6/h3-4H2,1-2H3 |
| InChIKey | ZKDXKBIOEVBFGV-UHFFFAOYSA-N |
| Molecular Weight | 118.194 g/mol |
| SMILES | CC(CSCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.981708 |