| SpectraBase Spectrum ID |
IOBepyT55ec |
| Name |
Succinic 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 |
304.092243448 u |
| Formula |
C14H15F3O4 |
| InChI |
InChI=1S/C14H15F3O4/c1-2-20-11(18)8-9-12(19)21-13(14(15,16)17)10-6-4-3-5-7-10/h3-7,13H,2,8-9H2,1H3 |
| InChIKey |
NSKMJTGLDUGMLP-UHFFFAOYSA-N |
| Molecular Weight |
304.265 g/mol |
| SMILES |
C(CCC(OC(C(F)(F)F)C1=CC=CC=C1)=O)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932898 |