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OPACALINE_C

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OPACALINE_C
SpectraBase Compound ID 8iODPB3U4Ri
InChI InChI=1S/C15H16BrN5/c16-9-3-4-10-11-5-7-19-12(2-1-6-20-15(17)18)14(11)21-13(10)8-9/h3-5,7-8,21H,1-2,6H2,(H4,17,18,20)/p+2
InChIKey NQTXNVBTDBUZDW-UHFFFAOYSA-P
Mol Weight 348.25 g/mol
Molecular Formula C15H18BrN5
Exact Mass 347.074559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5uK5NjbKu6E
Name OPACALINE_C
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H18BrN5
InChI InChI=1S/C15H16BrN5/c16-9-3-4-10-11-5-7-19-12(2-1-6-20-15(17)18)14(11)21-13(10)8-9/h3-5,7-8,21H,1-2,6H2,(H4,17,18,20)/p+2
InChIKey NQTXNVBTDBUZDW-UHFFFAOYSA-P
Literature Reference Author S.T.S.CHAN,A.N.PEARCE,M.J.PAGE,M.KAISER,B.R.COPP
Literature Reference Citation J.NAT.PROD.,74,1972(2011)
Literature Reference DOI 10.1021/np200509g
Molecular Weight 348.245 g/mol
Sample ID 39255
Solvent CD3OD