| SpectraBase Compound ID | IYYTdNaMeWx |
|---|---|
| InChI | InChI=1S/C5H8O3/c1-7-4-3-5(6)8-2/h3-4H,1-2H3/b4-3+ |
| InChIKey | AUTCCPQKLPMHDN-ONEGZZNKSA-N |
| Mol Weight | 116.12 g/mol |
| Molecular Formula | C5H8O3 |
| Exact Mass | 116.047344 g/mol |
| SpectraBase Spectrum ID | DmYVM9TZoZ |
|---|---|
| Name | (E)-3-Methoxyacrylic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 116.047344115 u |
| Formula | C5H8O3 |
| InChI | InChI=1S/C5H8O3/c1-7-4-3-5(6)8-2/h3-4H,1-2H3/b4-3+ |
| InChIKey | AUTCCPQKLPMHDN-ONEGZZNKSA-N |
| Molecular Weight | 116.116 g/mol |
| SMILES | C(\C=C\OC)(OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.902767 |