| SpectraBase Compound ID | 4ReOdM80rp |
|---|---|
| InChI | InChI=1S/C6H10O2/c1-4(5(2)7)6(3)8/h4H,1-3H3 |
| InChIKey | GSOHKPVFCOWKPU-UHFFFAOYSA-N |
| Mol Weight | 114.14 g/mol |
| Molecular Formula | C6H10O2 |
| Exact Mass | 114.06808 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | cPHXxfgdoi |
|---|---|
| Name | 3-Methyl-2,4-pentanedione, mixture of tautomers |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 114.068079560 u |
| Formula | C6H10O2 |
| InChI | InChI=1S/C6H10O2/c1-4(5(2)7)6(3)8/h4H,1-3H3 |
| InChIKey | GSOHKPVFCOWKPU-UHFFFAOYSA-N |
| Molecular Weight | 114.144 g/mol |
| SMILES | C(C(C)=O)(C(C)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.956532 |