| SpectraBase Spectrum ID |
KWhBFEwrSC0 |
| Name |
Succinic acid, ethyl 4-trifluoromethylbenzyl 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)7-8-13(19)21-9-10-3-5-11(6-4-10)14(15,16)17/h3-6H,2,7-9H2,1H3 |
| InChIKey |
IDZKKIQDQGNMFE-UHFFFAOYSA-N |
| Molecular Weight |
304.265 g/mol |
| SMILES |
C(C1=CC=C(COC(=O)CCC(OCC)=O)C=C1)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944927 |
