| SpectraBase Compound ID | JCxmkTaXxkA |
|---|---|
| InChI | InChI=1S/C5H7ClO2/c1-4(6)3-5(7)8-2/h3H,1-2H3/b4-3+ |
| InChIKey | NQMWPCBPCHDUBG-ONEGZZNKSA-N |
| Mol Weight | 134.56 g/mol |
| Molecular Formula | C5H7ClO2 |
| Exact Mass | 134.013457 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6UlSerIhg2I |
|---|---|
| Name | (E)-3-Chloro-2-butenoic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 134.013457163 u |
| Formula | C5H7ClO2 |
| InChI | InChI=1S/C5H7ClO2/c1-4(6)3-5(7)8-2/h3H,1-2H3/b4-3+ |
| InChIKey | NQMWPCBPCHDUBG-ONEGZZNKSA-N |
| Molecular Weight | 134.562 g/mol |
| SMILES | C(\C=C/(C)Cl)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916641 |