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FLUSTRAMINE_F
SpectraBase Compound ID 3wf3gjY43lR
InChI InChI=1S/C18H23BrN2O/c1-6-17(3,4)18-9-10-20(5)16(18)21(12(2)22)15-11-13(19)7-8-14(15)18/h6-8,11,16H,1,9-10H2,2-5H3/t16-,18-/m1/s1
InChIKey FDLDLVGSFPJRLS-SJLPKXTDSA-N
Mol Weight 363.3 g/mol
Molecular Formula C18H23BrN2O
Exact Mass 362.099376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LRv5roQAJ4a
Name Flustramine F
Comments Less than 3 mono-isotopic peaks
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Formula C18H23BrN2O
InChI InChI=1S/C18H23BrN2O/c1-6-17(3,4)18-9-10-20(5)16(18)21(12(2)22)15-11-13(19)7-8-14(15)18/h6-8,11,16H,1,9-10H2,2-5H3/t16-,18-/m1/s1
InChIKey FDLDLVGSFPJRLS-SJLPKXTDSA-N
Molecular Weight 363.299 g/mol
SMILES [C@@]12(N(c3c([C@]2(C(C=C)(C)C)CCN1C)ccc(c3)Br)C(=O)C)[H]
SPLASH splash10-03di-0009000000-66a8e9c20cd01558b124
Source of Spectrum G4-72-1779-2
Synonyms 1-[(3aR,8bR)-6-bromo-3-methyl-8b-(2-methylbut-3-en-2-yl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-4-yl]ethanone 1-[(3aR,8bR)-6-bromo-8b-(1,1-dimethylallyl)-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-4-yl]ethanone 1-[(3aR,8bR)-6-bromanyl-3-methyl-8b-(2-methylbut-3-en-2-yl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-4-yl]ethanone
Wiley ID 1702198