| SpectraBase Spectrum ID |
KUQIJWW1eQ4 |
| Name |
Acetoxyacetic acid, 4-chloro-2-methylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.034586530 u |
| Formula |
C11H11ClO4 |
| InChI |
InChI=1S/C11H11ClO4/c1-7-5-9(12)3-4-10(7)16-11(14)6-15-8(2)13/h3-5H,6H2,1-2H3 |
| InChIKey |
LFZAXQIMXTWFSY-UHFFFAOYSA-N |
| Molecular Weight |
242.658 g/mol |
| SMILES |
C(COC(C)=O)(OC1=CC=C(C=C1C)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938163 |
