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LBZVMQGCBBZIBN-AYKLPDECSA-N

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LBZVMQGCBBZIBN-AYKLPDECSA-N
SpectraBase Compound ID 5HiT1YFO7Lf
InChI InChI=1S/C16H16BrN3/c1-11(13-3-7-15(17)8-4-13)19-20-12(2)14-5-9-16(18)10-6-14/h3-10H,18H2,1-2H3/b19-11+,20-12+
InChIKey LBZVMQGCBBZIBN-AYKLPDECSA-N
Mol Weight 330.23 g/mol
Molecular Formula C16H16BrN3
Exact Mass 329.052761 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KYNEUl305cr
Name LBZVMQGCBBZIBN-AYKLPDECSA-N
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16BrN3
InChI InChI=1S/C16H16BrN3/c1-11(13-3-7-15(17)8-4-13)19-20-12(2)14-5-9-16(18)10-6-14/h3-10H,18H2,1-2H3/b19-11+,20-12+
InChIKey LBZVMQGCBBZIBN-AYKLPDECSA-N
Literature Reference Author M.LEWIS,R.GLASER
Literature Reference Citation J.ORG.CHEM.,67,1441(2002)
Literature Reference DOI 10.1021/jo011117o
Molecular Weight 330.227 g/mol
Solvent CDCl3
Source File Reference UWMS23209