| SpectraBase Spectrum ID |
5EYPLwF2Lwh |
| Name |
Glutaric acid, 2,3-dichlorophenyl 4-biphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.058214456 u |
| Formula |
C23H18Cl2O4 |
| InChI |
InChI=1S/C23H18Cl2O4/c24-19-8-4-9-20(23(19)25)29-22(27)11-5-10-21(26)28-18-14-12-17(13-15-18)16-6-2-1-3-7-16/h1-4,6-9,12-15H,5,10-11H2 |
| InChIKey |
TZVPTAKELRUGEK-UHFFFAOYSA-N |
| Molecular Weight |
429.299 g/mol |
| SMILES |
C1=CC=C(C=C1)C1=CC=C(OC(=O)CCCC(OC2=C(C(=CC=C2)Cl)Cl)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894405 |
