| SpectraBase Compound ID | 4T4grzIbOA3 |
|---|---|
| InChI | InChI=1S/C7H12O2/c1-3-5-6-7(8)9-4-2/h3,5H,4,6H2,1-2H3/b5-3+ |
| InChIKey | UMLQAWUDAFCGGS-HWKANZROSA-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 | GeJR2C2gfRc |
|---|---|
| Name | 3-Pentenoic acid, ethyl ester |
| 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/c1-3-5-6-7(8)9-4-2/h3,5H,4,6H2,1-2H3/b5-3+ |
| InChIKey | UMLQAWUDAFCGGS-HWKANZROSA-N |
| SMILES | C\C=C\CC(OCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.946094 |