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DISCORHABDIN_V
SpectraBase Compound ID 3M6E7LyBlMP
InChI InChI=1S/C18H16BrN3O2/c19-9-5-18-2-3-20-14-12(18)15-11-8(7-21-13(11)17(14)24)1-4-22(15)10(6-18)16(9)23/h5,7,10,16,23H,1-4,6H2,(H,20,21,24)/p+1
InChIKey SSPPRUOFJZYGKW-UHFFFAOYSA-O
Mol Weight 387.26 g/mol
Molecular Formula C18H17BrN3O2
Exact Mass 386.050415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2DEvlbpm6r
Name DISCORHABDIN_V
Compound Number 6
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17BrN3O2
InChI InChI=1S/C18H16BrN3O2/c19-9-5-18-2-3-20-14-12(18)15-11-8(7-21-13(11)17(14)24)1-4-22(15)10(6-18)16(9)23/h5,7,10,16,23H,1-4,6H2,(H,20,21,24)/p+1
InChIKey SSPPRUOFJZYGKW-UHFFFAOYSA-O
Literature Reference Author E.M.ANTUNES,D.R.BEUKES,M.KELLY,T.SAMAAI,L.R.BARROWS,K.M.MARS HALL,C.SINCICH,M.T.D
Literature Reference Citation J.NAT.PROD.,67,1268(2004)
Literature Reference DOI 10.1021/np034084b
Molecular Weight 387.256 g/mol
Solvent DMSO-D6
Source File Reference UWMZ7307