SpectraBase Spectrum ID |
6e7dWjSCBB8 |
Name |
Glutaric acid, 2,2-dichloroethyl 4-chloro-2-methoxyphenyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
367.998506678 u |
Formula |
C14H15Cl3O5 |
InChI |
InChI=1S/C14H15Cl3O5/c1-20-11-7-9(15)5-6-10(11)22-14(19)4-2-3-13(18)21-8-12(16)17/h5-7,12H,2-4,8H2,1H3 |
InChIKey |
XSDKLDUDSXYTFN-UHFFFAOYSA-N |
Molecular Weight |
369.628 g/mol |
SMILES |
C(CCC(OCC(Cl)Cl)=O)C(OC1=CC=C(C=C1OC)Cl)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927134 |