| SpectraBase Spectrum ID |
5eT6eoy2E9t |
| Name |
Glutaric acid, ethyl 1-phenyl-2,2,2-trifluoroethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.107893512 u |
| Formula |
C15H17F3O4 |
| InChI |
InChI=1S/C15H17F3O4/c1-2-21-12(19)9-6-10-13(20)22-14(15(16,17)18)11-7-4-3-5-8-11/h3-5,7-8,14H,2,6,9-10H2,1H3 |
| InChIKey |
MXUMVQXSIURNCR-UHFFFAOYSA-N |
| Molecular Weight |
318.292 g/mol |
| SMILES |
C(OC(C(F)(F)F)C1=CC=CC=C1)(=O)CCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934382 |
