| SpectraBase Spectrum ID |
IpYhsEd1gG |
| Name |
Benzeneacetic acid, 2-(chloromethyl)-alpha-oxo-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
212.024021847 u |
| Formula |
C10H9ClO3 |
| InChI |
InChI=1S/C10H9ClO3/c1-14-10(13)9(12)8-5-3-2-4-7(8)6-11/h2-5H,6H2,1H3 |
| InChIKey |
MWQGXVKNBHHBES-UHFFFAOYSA-N |
| Molecular Weight |
212.632 g/mol |
| SMILES |
C1=CC=C(C(=C1)CCl)C(C(OC)=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.806 |
