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TAMBJAMINE-J-ACETATE
SpectraBase Compound ID 7MZssgvNulJ
InChI InChI=1S/C15H20BrN3O.C2H4O2/c1-4-10(2)8-17-9-13-14(20-3)7-12(18-13)11-5-6-15(16)19-11;1-2(3)4/h5-7,9-10,17,19H,4,8H2,1-3H3;1H3,(H,3,4)/b13-9-;
InChIKey MBNLRKJJUGAYQS-CHHCPSLASA-N
Mol Weight 398.3 g/mol
Molecular Formula C17H24BrN3O3
Exact Mass 397.100105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8aW7X15NQfR
Name Tambjamine J
Alternate Name(s) (Z)-5-bromo-4'-methoxy-5'-(((2-methylbutyl)amino)methylene)-1H,5'H-[2,2'-bipyrrol]-1'-ium acetate
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Formula C17H24BrN3O3
InChI InChI=1S/C15H20BrN3O.C2H4O2/c1-4-10(2)8-17-9-13-14(20-3)7-12(18-13)11-5-6-15(16)19-11;1-2(3)4/h5-7,9-10,17,19H,4,8H2,1-3H3;1H3,(H,3,4)/b13-9-;
InChIKey MBNLRKJJUGAYQS-CHHCPSLASA-N
Literature Reference DOI 10.1021/ol7024313
Molecular Weight 398.301 g/mol
SMILES CC([O-])=O.[nH]1c(ccc1C=1C=C(\C(=C\NCC(CC)C)[NH+]1)OC)Br
SPLASH splash10-0007-9032000000-6ff3e707e37da0244338
Source of Spectrum A1-9-5127/SMS18-11
Wiley ID 1758870