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

*Links on SpectraBase are not permalinks.
1-[4-(TRIFLUOROMETHYL)-BENZYL]-NICOTINAMIDE-BROMIDE
SpectraBase Compound ID 5gY0XuUxToG
InChI InChI=1S/C14H11F3N2O.BrH/c15-14(16,17)12-5-3-10(4-6-12)8-19-7-1-2-11(9-19)13(18)20;/h1-7,9H,8H2,(H-,18,20);1H
InChIKey QBQJLCYEUJYRQK-UHFFFAOYSA-N
Mol Weight 361.16 g/mol
Molecular Formula C14H12BrF3N2O
Exact Mass 360.008511 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 D5xT9UROJ9s
Name 1-[4-(TRIFLUOROMETHYL)-BENZYL]-NICOTINAMIDE-BROMIDE
Compound Number 1C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H12BrF3N2O
InChI InChI=1S/C14H11F3N2O.BrH/c15-14(16,17)12-5-3-10(4-6-12)8-19-7-1-2-11(9-19)13(18)20;/h1-7,9H,8H2,(H-,18,20);1H
InChIKey QBQJLCYEUJYRQK-UHFFFAOYSA-N
Literature Reference Author J.R.BURKE,P.A.FREY
Literature Reference Citation J.ORG.CHEM.,61,530(1996)
Literature Reference DOI 10.1021/jo9511814
Molecular Weight 361.161 g/mol
Solvent D2O:H2O=1:1;C=35MM
Source File Reference UWCS20664