| SpectraBase Spectrum ID |
9fQT76dCHzH |
| Name |
Diethylmalonic acid, monochloride, 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 |
302.047649772 u |
| Formula |
C14H16Cl2O3 |
| InChI |
InChI=1S/C14H16Cl2O3/c1-4-14(5-2,12(16)17)13(18)19-11-7-6-10(15)8-9(11)3/h6-8H,4-5H2,1-3H3 |
| InChIKey |
LSPYBBRTGROWTB-UHFFFAOYSA-N |
| Molecular Weight |
303.185 g/mol |
| SMILES |
CCC(C(Cl)=O)(C(OC1=CC=C(C=C1C)Cl)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854163 |
