| SpectraBase Compound ID | 8ACo1Y3crLL |
|---|---|
| InChI | InChI=1S/C7H12O3/c1-3-4-10-7(9)5-6(2)8/h3-5H2,1-2H3 |
| InChIKey | DHGFMVMDBNLMKT-UHFFFAOYSA-N |
| Mol Weight | 144.17 g/mol |
| Molecular Formula | C7H12O3 |
| Exact Mass | 144.078644 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1Bd7QLpPb5F |
|---|---|
| Name | Acetoacetic acid, propyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.078644243 u |
| Formula | C7H12O3 |
| InChI | InChI=1S/C7H12O3/c1-3-4-10-7(9)5-6(2)8/h3-5H2,1-2H3 |
| InChIKey | DHGFMVMDBNLMKT-UHFFFAOYSA-N |
| SMILES | CC(CC(OCCC)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.987005 |