| SpectraBase Spectrum ID |
CGZsckGhm2U |
| Name |
(+)-dimethyl 2-(4-(trifluoromethyl)phenyl)succinate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.076593384 u |
| Formula |
C13H13F3O4 |
| InChI |
InChI=1S/C13H13F3O4/c1-19-11(17)7-10(12(18)20-2)8-3-5-9(6-4-8)13(14,15)16/h3-6,10H,7H2,1-2H3 |
| InChIKey |
ISQRHUSRUWJURP-UHFFFAOYSA-N |
| Molecular Weight |
290.238 g/mol |
| SMILES |
C(C(CC(OC)=O)C1=CC=C(C=C1)C(F)(F)F)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950142 |
