| SpectraBase Spectrum ID |
DgcNfy5BLAF |
| Name |
Fumaric acid, 2-phenethyl 2,2,3,3-tetrafluoropropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.082821579 u |
| Formula |
C15H14F4O4 |
| InChI |
InChI=1S/C15H14F4O4/c16-14(17)15(18,19)10-23-13(21)7-6-12(20)22-9-8-11-4-2-1-3-5-11/h1-7,14H,8-10H2/b7-6+ |
| InChIKey |
LZKLBSSFNBWEQO-VOTSOKGWSA-N |
| Molecular Weight |
334.267 g/mol |
| SMILES |
C(\C=C\C(OCC(C(F)F)(F)F)=O)(OCCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954308 |
