| SpectraBase Spectrum ID |
3AsPdYjoaVR |
| Name |
Glutaric acid, 2-chloro-6-fluorophenyl 3-phenoxybenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.098329602 u |
| Formula |
C24H20ClFO5 |
| InChI |
InChI=1S/C24H20ClFO5/c25-20-11-5-12-21(26)24(20)31-23(28)14-6-13-22(27)29-16-17-7-4-10-19(15-17)30-18-8-2-1-3-9-18/h1-5,7-12,15H,6,13-14,16H2 |
| InChIKey |
AOBACTVYBIUNRT-UHFFFAOYSA-N |
| Molecular Weight |
442.870 g/mol |
| SMILES |
C(CCC(OC1=C(C=CC=C1F)Cl)=O)C(OCC1=CC=CC(OC2=CC=CC=C2)=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975346 |
