| SpectraBase Compound ID | CNq1clknOeK |
|---|---|
| InChI | InChI=1S/C7H12O3/c1-6(5-8)3-4-10-7(2)9/h3,8H,4-5H2,1-2H3/b6-3+ |
| InChIKey | WSBIBTVBOUYRGA-ZZXKWVIFSA-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 | AFUdfcnLMgS |
|---|---|
| Name | 4-Hydroxy-3-methylbut-2-enyl-acetate |
| 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/c1-6(5-8)3-4-10-7(2)9/h3,8H,4-5H2,1-2H3/b6-3+ |
| InChIKey | WSBIBTVBOUYRGA-ZZXKWVIFSA-N |
| SMILES | C(O)\C(=C\COC(=O)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.845097 |