| SpectraBase Compound ID | AAhMH2uhG7F |
|---|---|
| InChI | InChI=1S/C6H12O3/c1-5(7)6(2,8-3)9-4/h1-4H3 |
| InChIKey | UFQBSPGKRRSATO-UHFFFAOYSA-N |
| Mol Weight | 132.16 g/mol |
| Molecular Formula | C6H12O3 |
| Exact Mass | 132.078644 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FFeaLOEJgPb |
|---|---|
| Name | 3,3-Dimethoxy-2-butanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 132.078644243 u |
| Formula | C6H12O3 |
| InChI | InChI=1S/C6H12O3/c1-5(7)6(2,8-3)9-4/h1-4H3 |
| InChIKey | UFQBSPGKRRSATO-UHFFFAOYSA-N |
| SMILES | COC(C(C)=O)(C)OC |
| Spectrum/Structure Validation Score (Raman) | 0.945863 |