| SpectraBase Compound ID | FfTG9nfVqNC |
|---|---|
| InChI | InChI=1S/C7H10O4/c1-3-11-7(9)5-4-6(8)10-2/h3H,1,4-5H2,2H3 |
| InChIKey | KRYYVNVNYMXMIC-UHFFFAOYSA-N |
| Mol Weight | 158.15 g/mol |
| Molecular Formula | C7H10O4 |
| Exact Mass | 158.057909 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7kZ4T0mlNPx |
|---|---|
| Name | Butanedioic acid, ethenyl methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.057908798 u |
| Formula | C7H10O4 |
| InChI | InChI=1S/C7H10O4/c1-3-11-7(9)5-4-6(8)10-2/h3H,1,4-5H2,2H3 |
| InChIKey | KRYYVNVNYMXMIC-UHFFFAOYSA-N |
| SMILES | COC(CCC(OC=C)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.95751 |