| SpectraBase Spectrum ID |
GOU3OgKMr5k |
| Name |
Fumaric acid, 1-phenylprop-1-yl 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 |
348.098471643 u |
| Formula |
C16H16F4O4 |
| InChI |
InChI=1S/C16H16F4O4/c1-2-12(11-6-4-3-5-7-11)24-14(22)9-8-13(21)23-10-16(19,20)15(17)18/h3-9,12,15H,2,10H2,1H3/b9-8+ |
| InChIKey |
ADBLNBOZOCGPEU-CMDGGOBGSA-N |
| Molecular Weight |
348.294 g/mol |
| SMILES |
C(\C=C\C(OCC(C(F)F)(F)F)=O)(OC(CC)C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870365 |
