| SpectraBase Compound ID | CEWSUNcO1I4 |
|---|---|
| InChI | InChI=1S/C7H10O3/c1-5(8)3-7(10)4-6(2)9/h3-4H2,1-2H3 |
| InChIKey | CTHCTLCNUREAJV-UHFFFAOYSA-N |
| Mol Weight | 142.15 g/mol |
| Molecular Formula | C7H10O3 |
| Exact Mass | 142.062994 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | J8P3FmYM08y |
|---|---|
| Name | 1,3-Diacetylacetone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.062994179 u |
| Formula | C7H10O3 |
| InChI | InChI=1S/C7H10O3/c1-5(8)3-7(10)4-6(2)9/h3-4H2,1-2H3 |
| InChIKey | CTHCTLCNUREAJV-UHFFFAOYSA-N |
| SMILES | CC(CC(CC(C)=O)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.991554 |