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1-(CARBOMETHOXYMETHYL)-NICOTINAMIDE-BROMIDE

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1-(CARBOMETHOXYMETHYL)-NICOTINAMIDE-BROMIDE
SpectraBase Compound ID 9P08KgvXtTu
InChI InChI=1S/C9H10N2O3.BrH/c1-14-8(12)6-11-4-2-3-7(5-11)9(10)13;/h2-5H,6H2,1H3,(H-,10,13);1H
InChIKey GZHDWFJYKCKFCQ-UHFFFAOYSA-N
Mol Weight 275.1 g/mol
Molecular Formula C9H11BrN2O3
Exact Mass 273.995305 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KVaocIQFAmu
Name 1-(CARBOMETHOXYMETHYL)-NICOTINAMIDE-BROMIDE
Compound Number 1E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H11BrN2O3
InChI InChI=1S/C9H10N2O3.BrH/c1-14-8(12)6-11-4-2-3-7(5-11)9(10)13;/h2-5H,6H2,1H3,(H-,10,13);1H
InChIKey GZHDWFJYKCKFCQ-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
Solvent ETOH/H2O:D2O=93:7;C=5MM
Source File Reference UWCS20669