| SpectraBase Spectrum ID |
KOe82yQdOMa |
| Name |
Glutaric acid, 3-chlorophenyl 2,3,5-trichlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.948969662 u |
| Formula |
C17H12Cl4O4 |
| InChI |
InChI=1S/C17H12Cl4O4/c18-10-3-1-4-12(7-10)24-15(22)5-2-6-16(23)25-14-9-11(19)8-13(20)17(14)21/h1,3-4,7-9H,2,5-6H2 |
| InChIKey |
VWNZPZXTEYSLMM-UHFFFAOYSA-N |
| Molecular Weight |
422.091 g/mol |
| SMILES |
C(CCC(OC1=CC(=CC=C1)Cl)=O)C(OC1=C(C(=CC(=C1)Cl)Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822946 |
