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

*Links on SpectraBase are not permalinks.

Fumaric acid, monoamide, N-allyl-, pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, monoamide, N-allyl-, pentafluorobenzyl ester
SpectraBase Compound ID 9BhH95DJFZP
InChI InChI=1S/C14H10F5NO3/c1-2-5-20-8(21)3-4-9(22)23-6-7-10(15)12(17)14(19)13(18)11(7)16/h2-4H,1,5-6H2,(H,20,21)/b4-3+
InChIKey RBYLQSLCYFPNTO-ONEGZZNKSA-N
Mol Weight 335.23 g/mol
Molecular Formula C14H10F5NO3
Exact Mass 335.058084 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 2CLFrorJCFF
Name Fumaric acid, monoamide, N-allyl-, pentafluorobenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.058083998 u
Formula C14H10F5NO3
InChI InChI=1S/C14H10F5NO3/c1-2-5-20-8(21)3-4-9(22)23-6-7-10(15)12(17)14(19)13(18)11(7)16/h2-4H,1,5-6H2,(H,20,21)/b4-3+
InChIKey RBYLQSLCYFPNTO-ONEGZZNKSA-N
Molecular Weight 335.230 g/mol
SMILES C=CCNC(\C=C\C(OCC1=C(C(=C(F)C(=C1F)F)F)F)=O)=O