| SpectraBase Compound ID | B6WzxI3Tph4 |
|---|---|
| InChI | InChI=1S/C6H8O3/c1-5(7)3-4-6(8)9-2/h3-4H,1-2H3 |
| InChIKey | GLVNZYODMKSEPS-UHFFFAOYSA-N |
| Mol Weight | 128.13 g/mol |
| Molecular Formula | C6H8O3 |
| Exact Mass | 128.047344 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JIObzP6RN3h |
|---|---|
| Name | 4-oxo-2-Pentenoic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.047344115 u |
| Formula | C6H8O3 |
| InChI | InChI=1S/C6H8O3/c1-5(7)3-4-6(8)9-2/h3-4H,1-2H3 |
| InChIKey | GLVNZYODMKSEPS-UHFFFAOYSA-N |
| Molecular Weight | 128.127 g/mol |
| SMILES | CC(C=CC(OC)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.933361 |