| SpectraBase Compound ID | ErNilVd15mc |
|---|---|
| InChI | InChI=1S/C7H12O2/c1-4-7(5(2)8)6(3)9/h7H,4H2,1-3H3 |
| InChIKey | GUARKOVVHJSMRW-UHFFFAOYSA-N |
| Mol Weight | 128.17 g/mol |
| Molecular Formula | C7H12O2 |
| Exact Mass | 128.08373 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | G08BIKg0tlx |
|---|---|
| Name | 3-Ethyl-2,4-pentanedione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.083729624 u |
| Formula | C7H12O2 |
| InChI | InChI=1S/C7H12O2/c1-4-7(5(2)8)6(3)9/h7H,4H2,1-3H3 |
| InChIKey | GUARKOVVHJSMRW-UHFFFAOYSA-N |
| SMILES | CC(C(C(C)=O)CC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.914654 |