| SpectraBase Compound ID | 6EerfuVlfCT |
|---|---|
| InChI | InChI=1S/C6H9ClO3/c1-9-5(4-7)3-6(8)10-2/h3H,4H2,1-2H3/b5-3+ |
| InChIKey | JNYMRXDQVPIONI-HWKANZROSA-N |
| Mol Weight | 164.59 g/mol |
| Molecular Formula | C6H9ClO3 |
| Exact Mass | 164.024022 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Gg73lPHHT9q |
|---|---|
| Name | (E)-4-Chloro-3-methoxycrotonic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.024021847 u |
| Formula | C6H9ClO3 |
| InChI | InChI=1S/C6H9ClO3/c1-9-5(4-7)3-6(8)10-2/h3H,4H2,1-2H3/b5-3+ |
| InChIKey | JNYMRXDQVPIONI-HWKANZROSA-N |
| Molecular Weight | 164.588 g/mol |
| SMILES | C(\C=C/(CCl)OC)(OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.748416 |