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N-METHYLMANZACIDIN-C
SpectraBase Compound ID CRnjVNYsg0c
InChI InChI=1S/C13H18BrN3O4/c1-13(4-10(11(18)19)16-7-17(13)2)6-21-12(20)9-3-8(14)5-15-9/h3,5,10,15-16H,4,6-7H2,1-2H3,(H,18,19)/p-1/t10-,13-/m1/s1/i14-1
InChIKey KKUONIKWUYVALE-PYJFOICYSA-M
Mol Weight 358.21 g/mol
Molecular Formula C13H1779BrN3O4
Exact Mass 358.040244 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AQ005Xd0Imw
Name N-METHYLMANZACIDIN-C
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H1779BrN3O4
InChI InChI=1S/C13H18BrN3O4/c1-13(4-10(11(18)19)16-7-17(13)2)6-21-12(20)9-3-8(14)5-15-9/h3,5,10,15-16H,4,6-7H2,1-2H3,(H,18,19)/p-1/t10-,13-/m1/s1/i14-1
InChIKey KKUONIKWUYVALE-PYJFOICYSA-M
Literature Reference Author S.TSUKAMOTO,K.TANE,T.OHTA,S.MATSUNAGA,N.FUSETANI,R.W.M.VANSO EST
Literature Reference Citation J.NAT.PROD.,64,1576(2001)
Literature Reference DOI 10.1021/np010280b
Molecular Weight 358.214 g/mol
Solvent DMSO-D6