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Keramadine

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Keramadine
SpectraBase Compound ID COeSsjt1APp
InChI InChI=1S/C12H14BrN5O/c1-18-9(7-17-12(18)14)3-2-4-15-11(19)10-5-8(13)6-16-10/h2-3,5-7,16H,4H2,1H3,(H2,14,17)(H,15,19)/p+1/b3-2-
InChIKey IHGGTFLLONNOLE-IHWYPQMZSA-O
Mol Weight 325.19 g/mol
Molecular Formula C12H15BrN5O
Exact Mass 324.045998 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ubgng5x0A3
Name KERAMADINE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15BrN5O
InChI InChI=1S/C12H14BrN5O/c1-18-9(7-17-12(18)14)3-2-4-15-11(19)10-5-8(13)6-16-10/h2-3,5-7,16H,4H2,1H3,(H2,14,17)(H,15,19)/p+1/b3-2-
InChIKey IHGGTFLLONNOLE-IHWYPQMZSA-O
Literature Reference Author D.E.WILLIAMS,B.O.PATRICK,H.W.BEHRISCH,R.V.SOEST,M.ROBERGE,R. J.ANDERSEN
Literature Reference Citation J.NAT.PROD.,68,327(2005)
Literature Reference DOI 10.1021/np049711r
Molecular Weight 325.188 g/mol
Solvent DMSO-D6
Source File Reference UWMZ7683