| SpectraBase Spectrum ID |
Hem8oxSgNnq |
| Name |
Glutaric acid, ethyl 4-(trifluoromethyl)benzyl 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/c1-2-21-13(19)4-3-5-14(20)22-10-11-6-8-12(9-7-11)15(16,17)18/h6-9H,2-5,10H2,1H3 |
| InChIKey |
TZUBCNITOKPPEG-UHFFFAOYSA-N |
| Molecular Weight |
318.292 g/mol |
| SMILES |
C(OCC1=CC=C(C=C1)C(F)(F)F)(=O)CCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877892 |
