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1-(CYANOMETHYL)-NICOTINAMIDE-BROMIDE

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1-(CYANOMETHYL)-NICOTINAMIDE-BROMIDE
SpectraBase Compound ID IuUp2Hrgz7t
InChI InChI=1S/C8H7N3O.BrH/c9-3-5-11-4-1-2-7(6-11)8(10)12;/h1-2,4,6H,5H2,(H-,10,12);1H
InChIKey QLMVLFFWJRQCDW-UHFFFAOYSA-N
Mol Weight 242.08 g/mol
Molecular Formula C8H8BrN3O
Exact Mass 240.985075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BLg5MTL5YR0
Name 1-(CYANOMETHYL)-NICOTINAMIDE-BROMIDE
Compound Number 1F
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H8BrN3O
InChI InChI=1S/C8H7N3O.BrH/c9-3-5-11-4-1-2-7(6-11)8(10)12;/h1-2,4,6H,5H2,(H-,10,12);1H
InChIKey QLMVLFFWJRQCDW-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 242.075 g/mol
Solvent ETOH/H2O:D2O=93:7;C=5MM
Source File Reference UWCS20671