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TAMBJAMINE-H-ACETATE
SpectraBase Compound ID LGjv9xbo0Oc
InChI InChI=1S/C13H16BrN3O.C2H4O2/c1-3-6-15-8-11-12(18-2)7-10(16-11)9-4-5-13(14)17-9;1-2(3)4/h4-5,7-8,15,17H,3,6H2,1-2H3;1H3,(H,3,4)/b11-8-;
InChIKey WOONUXUWDJAERW-MKFZHGHUSA-N
Mol Weight 370.25 g/mol
Molecular Formula C15H20BrN3O3
Exact Mass 369.068805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BcdIIiZL51O
Name Tambjamine H
Alternate Name(s) (Z)-5-bromo-4'-methoxy-5'-((propylamino)methylene)-1H,5'H-[2,2'-bipyrrol]-1'-ium acetate
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Formula C15H20BrN3O3
InChI InChI=1S/C13H16BrN3O.C2H4O2/c1-3-6-15-8-11-12(18-2)7-10(16-11)9-4-5-13(14)17-9;1-2(3)4/h4-5,7-8,15,17H,3,6H2,1-2H3;1H3,(H,3,4)/b11-8-;
InChIKey WOONUXUWDJAERW-MKFZHGHUSA-N
Literature Reference DOI 10.1021/ol7024313
Molecular Weight 370.247 g/mol
SMILES CC([O-])=O.[nH]1c(ccc1C=1C=C(OC)\C(=C\NCCC)[NH+]1)Br
SPLASH splash10-06sl-3095000000-0ed2a24c7ccfc5887e34
Source of Spectrum A1-9-5127/SMS16-9
Wiley ID 1758874