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

*Links on SpectraBase are not permalinks.

Fumaric acid, 3-phenylpropyl 1,1,1-trifluoroprop-2-yl ester

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

Fumaric acid, 3-phenylpropyl 1,1,1-trifluoroprop-2-yl ester
SpectraBase Compound ID JLYhclbQUAC
InChI InChI=1S/C16H17F3O4/c1-12(16(17,18)19)23-15(21)10-9-14(20)22-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,5,8,11H2,1H3/b10-9+
InChIKey GNTNPFWTCQLNFZ-MDZDMXLPSA-N
Mol Weight 330.3 g/mol
Molecular Formula C16H17F3O4
Exact Mass 330.107894 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 IM3Y0pm0LAA
Name Fumaric acid, 3-phenylpropyl 1,1,1-trifluoroprop-2-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.107893512 u
Formula C16H17F3O4
InChI InChI=1S/C16H17F3O4/c1-12(16(17,18)19)23-15(21)10-9-14(20)22-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,5,8,11H2,1H3/b10-9+
InChIKey GNTNPFWTCQLNFZ-MDZDMXLPSA-N
Molecular Weight 330.303 g/mol
SMILES C(\C=C\C(OC(C)C(F)(F)F)=O)(OCCCC1=CC=CC=C1)=O