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FLUSTRAMINE_G
SpectraBase Compound ID 2LO2utf2q72
InChI InChI=1S/C16H20Br2N2/c1-5-15(2,3)16-6-7-20(4)14(16)19-13-9-12(18)11(17)8-10(13)16/h5,8-9,14,19H,1,6-7H2,2-4H3/t14-,16+/m0/s1
InChIKey FFJCLGDTESJQRJ-GOEBONIOSA-N
Mol Weight 400.16 g/mol
Molecular Formula C16H20Br2N2
Exact Mass 397.999325 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1VxgCcIKqqe
Name (3aR,8aS)-5,6-Dibromo-3a-(1,1-dimethyl-allyl)-1-methyl-1,2,3,3a,8,8a-hexahydro-pyrrolo[2,3-b]indole
Alternate Name(s) 1-Methyl-3a-(1',1'-dimethyl-2'-propen-1'-yl)-5,6-dibromo-2,3,3a,8a-tetrahydropyrrolo[4,5-b]indole Flustramine G (3aS,8bR)-6,7-dibromo-3-methyl-8b-(2-methylbut-3-en-2-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole (3aS,8bR)-6,7-dibromo-8b-(1,1-dimethylallyl)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole (3aS,8bR)-6,7-bis(bromanyl)-3-methyl-8b-(2-methylbut-3-en-2-yl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
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Formula C16H20Br2N2
InChI InChI=1S/C16H20Br2N2/c1-5-15(2,3)16-6-7-20(4)14(16)19-13-9-12(18)11(17)8-10(13)16/h5,8-9,14,19H,1,6-7H2,2-4H3/t14-,16+/m0/s1
InChIKey FFJCLGDTESJQRJ-GOEBONIOSA-N
Molecular Weight 400.158 g/mol
SMILES N1c2cc(c(cc2[C@]2([C@@]1(N(CC2)C)[H])C(C=C)(C)C)Br)Br
SPLASH splash10-001i-0139200000-72e8a7ccd096b0ddf5fe
Source of Spectrum G4-72-1780-3
Wiley ID 1702197