| SpectraBase Compound ID | HXnfDOZRhHf |
|---|---|
| InChI | InChI=1S/C5H7ClO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3 |
| InChIKey | LNBQBURECUEBKZ-UHFFFAOYSA-N |
| Mol Weight | 166.56 g/mol |
| Molecular Formula | C5H7ClO4 |
| Exact Mass | 166.003286 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 476IzWpr3KI |
|---|---|
| Name | Chloromalonic acid, dimethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.003286401 u |
| Formula | C5H7ClO4 |
| InChI | InChI=1S/C5H7ClO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3 |
| InChIKey | LNBQBURECUEBKZ-UHFFFAOYSA-N |
| Molecular Weight | 166.560 g/mol |
| SMILES | COC(C(C(OC)=O)Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.969087 |