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FLUSTRAMINE_N
SpectraBase Compound ID 2LGsSA6XX5y
InChI InChI=1S/C21H29BrN2O/c1-13(2)6-7-15-12-16(22)18(23)17-19(15)25-20-21(17,9-8-14(3)4)10-11-24(20)5/h6,8,12,20H,7,9-11,23H2,1-5H3
InChIKey SQMRGQPMSRIJKQ-UHFFFAOYSA-N
Mol Weight 405.38 g/mol
Molecular Formula C21H29BrN2O
Exact Mass 404.146327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DNEfgtfZQ
Name 1-Methyl-3a,5-bis(3'-methylbut-2'-en-1'-yl)-7-bromo-8-amino-2,3,3a,8a-tetrahydropyrrolo[4,5-b]benzofuran
Alternate Name(s) 5-Bromo-1-methyl-3a,7-bis-(3-methyl-but-2-enyl)-2,3,3a,8a-tetrahydro-1H-benzo[4,5]furo[2,3-b]pyrrol-4-ylamine Flustramine N 7-Bromo-3-methyl-5,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-[1]benzofuro[2,3-b]pyrrol-8-amine 7-Bromo-3-methyl-5,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-benzofuro[2,3-b]pyrrol-8-amine 7-Bromanyl-3-methyl-5,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-[1]benzofuro[2,3-b]pyrrol-8-amine
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Formula C21H29BrN2O
InChI InChI=1S/C21H29BrN2O/c1-13(2)6-7-15-12-16(22)18(23)17-19(15)25-20-21(17,9-8-14(3)4)10-11-24(20)5/h6,8,12,20H,7,9-11,23H2,1-5H3
InChIKey SQMRGQPMSRIJKQ-UHFFFAOYSA-N
Molecular Weight 405.380 g/mol
SMILES Nc1c2C3(C(Oc2c(CC=C(C)C)cc1Br)N(C)CC3)CC=C(C)C
SPLASH splash10-0059-0090400000-b4b1b7077321ebffb9c1
Source of Spectrum G4-72-1780-11
Wiley ID 1702189