For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Fumaric acid, 3-phenylpropyl 2,2,3,3-tetrafluoropropyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Fumaric acid, 3-phenylpropyl 2,2,3,3-tetrafluoropropyl ester
SpectraBase Compound ID 6VAipPX8Vcz
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
Mol Weight 348.29 g/mol
Molecular Formula C16H16F4O4
Exact Mass 348.098472 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 94tPwvHU8sh
Name Fumaric acid, 3-phenylpropyl 2,2,3,3-tetrafluoropropyl ester
Comments Computed using HOSE algorithm
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