| SpectraBase Compound ID | BGAPsdChbNB |
|---|---|
| InChI | InChI=1S/C5H10O2/c1-4(3-6)5(2)7/h4,6H,3H2,1-2H3 |
| InChIKey | VVSRECWZBBJOTG-UHFFFAOYSA-N |
| Mol Weight | 102.13 g/mol |
| Molecular Formula | C5H10O2 |
| Exact Mass | 102.06808 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KmXPgMjFSMw |
|---|---|
| Name | 4-Hydroxy-3-methyl-2-butanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 102.068079560 u |
| Formula | C5H10O2 |
| InChI | InChI=1S/C5H10O2/c1-4(3-6)5(2)7/h4,6H,3H2,1-2H3 |
| InChIKey | VVSRECWZBBJOTG-UHFFFAOYSA-N |
| Molecular Weight | 102.133 g/mol |
| SMILES | OCC(C(C)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.885624 |