| SpectraBase Spectrum ID |
AiLnmXYCp70 |
| Name |
Benzeneacetic acid, 2-chloro-alpha-oxo-, methyl estero-; chlorophenylglyoxylic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
198.008371782 u |
| Formula |
C9H7ClO3 |
| InChI |
InChI=1S/C9H7ClO3/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h2-5H,1H3 |
| InChIKey |
XWVVPXXXQOJCJV-UHFFFAOYSA-N |
| Molecular Weight |
198.605 g/mol |
| SMILES |
C1(=C(C=CC=C1)Cl)C(C(OC)=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.929398 |
