| SpectraBase Spectrum ID |
K1zBpzDMKRD |
| Name |
Fumaric acid, 3-phenylpropyl 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/c17-15(18)16(19,20)11-24-14(22)9-8-13(21)23-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,15H,4,7,10-11H2/b9-8+ |
| InChIKey |
JUOQLNCRPQMAQB-CMDGGOBGSA-N |
| Molecular Weight |
348.294 g/mol |
| SMILES |
C(\C=C\C(OCC(C(F)F)(F)F)=O)(OCCCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872596 |
