| SpectraBase Compound ID | FkCPzavq5Uj |
|---|---|
| InChI | InChI=1S/C5H7ClO3/c1-3(7)4(6)5(8)9-2/h4H,1-2H3 |
| InChIKey | GYQRIAVRKLRQKP-UHFFFAOYSA-N |
| Mol Weight | 150.56 g/mol |
| Molecular Formula | C5H7ClO3 |
| Exact Mass | 150.008372 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7cfJ0zt5L4i |
|---|---|
| Name | 2-Chloroacetoacetic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 150.008371782 u |
| Formula | C5H7ClO3 |
| InChI | InChI=1S/C5H7ClO3/c1-3(7)4(6)5(8)9-2/h4H,1-2H3 |
| InChIKey | GYQRIAVRKLRQKP-UHFFFAOYSA-N |
| Molecular Weight | 150.561 g/mol |
| SMILES | CC(C(C(OC)=O)Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.924643 |