| SpectraBase Spectrum ID |
IzCv0FDjAEd |
| Name |
Fumaric acid, 2-ethylhexyl 1,1,1-trifluoroprop-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.154843706 u |
| Formula |
C15H23F3O4 |
| InChI |
InChI=1S/C15H23F3O4/c1-4-6-7-12(5-2)10-21-13(19)8-9-14(20)22-11(3)15(16,17)18/h8-9,11-12H,4-7,10H2,1-3H3/b9-8+ |
| InChIKey |
JVUVRLBFZQCDSG-CMDGGOBGSA-N |
| Molecular Weight |
324.340 g/mol |
| SMILES |
C(\C=C\C(OC(C)C(F)(F)F)=O)(OCC(CC)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93769 |
