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1-(4-CYANOBENZYL)-NICOTINAMIDE-BROMIDE

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1-(4-CYANOBENZYL)-NICOTINAMIDE-BROMIDE
SpectraBase Compound ID 1mCoJPfKq9I
InChI InChI=1S/C14H11N3O.BrH/c15-8-11-3-5-12(6-4-11)9-17-7-1-2-13(10-17)14(16)18;/h1-7,10H,9H2,(H-,16,18);1H
InChIKey CBCFSKITYRDSNF-UHFFFAOYSA-N
Mol Weight 318.17 g/mol
Molecular Formula C14H12BrN3O
Exact Mass 317.016375 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GxMq48rw76a
Name 1-(4-CYANOBENZYL)-NICOTINAMIDE-BROMIDE
Compound Number 1D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H12BrN3O
InChI InChI=1S/C14H11N3O.BrH/c15-8-11-3-5-12(6-4-11)9-17-7-1-2-13(10-17)14(16)18;/h1-7,10H,9H2,(H-,16,18);1H
InChIKey CBCFSKITYRDSNF-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 318.173 g/mol
Solvent ETOH/H2O:D2O=93:7;C=5MM
Source File Reference UWCS20667