| SpectraBase Spectrum ID |
5dttGEOZ1yr |
| Name |
Glutaric acid, 2,4,6-trichlorophenyl 2-chlorophenyl 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/c18-10-8-12(20)17(13(21)9-10)25-16(23)7-3-6-15(22)24-14-5-2-1-4-11(14)19/h1-2,4-5,8-9H,3,6-7H2 |
| InChIKey |
SWIKBBZWCGGQMP-UHFFFAOYSA-N |
| Molecular Weight |
422.091 g/mol |
| SMILES |
C(CCC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)C(OC=1C(=CC=CC1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910817 |
