| SpectraBase Spectrum ID |
BOpEjBpTJM6 |
| Name |
Succinic acid, ethyl 2-fluoro-6-(trifluoromethyl)benzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.082821579 u |
| Formula |
C14H14F4O4 |
| InChI |
InChI=1S/C14H14F4O4/c1-2-21-12(19)6-7-13(20)22-8-9-10(14(16,17)18)4-3-5-11(9)15/h3-5H,2,6-8H2,1H3 |
| InChIKey |
VHJWEZQDBMZUMI-UHFFFAOYSA-N |
| Molecular Weight |
322.256 g/mol |
| SMILES |
C(CCC(OCC1=C(C=CC=C1C(F)(F)F)F)=O)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92732 |
