| SpectraBase Spectrum ID |
6POP5Q46krn |
| Name |
Glutaric acid, 3-chlorophenyl 3-phenoxybenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.107751471 u |
| Formula |
C24H21ClO5 |
| InChI |
InChI=1S/C24H21ClO5/c25-19-8-5-12-22(16-19)30-24(27)14-6-13-23(26)28-17-18-7-4-11-21(15-18)29-20-9-2-1-3-10-20/h1-5,7-12,15-16H,6,13-14,17H2 |
| InChIKey |
GEYKCJMNEIURQX-UHFFFAOYSA-N |
| Molecular Weight |
424.880 g/mol |
| SMILES |
C(CCC(OC1=CC(=CC=C1)Cl)=O)C(OCC1=CC=CC(OC2=CC=CC=C2)=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939615 |
