| SpectraBase Spectrum ID |
5j9uRI9A28z |
| Name |
Glutaric acid, di(2-(2-fluorophenyl)ethyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.148615510 u |
| Formula |
C21H22F2O4 |
| InChI |
InChI=1S/C21H22F2O4/c22-18-8-3-1-6-16(18)12-14-26-20(24)10-5-11-21(25)27-15-13-17-7-2-4-9-19(17)23/h1-4,6-9H,5,10-15H2 |
| InChIKey |
ATRBGCAAEYMQBU-UHFFFAOYSA-N |
| Molecular Weight |
376.400 g/mol |
| SMILES |
C(OCCC1=C(C=CC=C1)F)(=O)CCCC(OCCC1=CC=CC=C1F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949659 |
