| SpectraBase Spectrum ID |
5I1OC4uB6AS |
| Name |
Glutaric acid, ethyl 2,3,6-trifluorobenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.092243448 u |
| Formula |
C14H15F3O4 |
| InChI |
InChI=1S/C14H15F3O4/c1-2-20-12(18)4-3-5-13(19)21-8-9-10(15)6-7-11(16)14(9)17/h6-7H,2-5,8H2,1H3 |
| InChIKey |
PSSPGRLFMPKTDF-UHFFFAOYSA-N |
| Molecular Weight |
304.265 g/mol |
| SMILES |
C(OCC1=C(C=CC(=C1F)F)F)(=O)CCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853909 |
