| SpectraBase Spectrum ID |
2rzdALFUQrm |
| Name |
Succinic acid, propyl 4-trifluoromethylbenzyl 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/c1-2-9-21-13(19)7-8-14(20)22-10-11-3-5-12(6-4-11)15(16,17)18/h3-6H,2,7-10H2,1H3 |
| InChIKey |
BJQPJGCOCDXPOH-UHFFFAOYSA-N |
| Molecular Weight |
318.292 g/mol |
| SMILES |
C(C1=CC=C(COC(=O)CCC(OCCC)=O)C=C1)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869862 |
