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Flustramine E
SpectraBase Compound ID JWB5iDR8UI9
InChI InChI=1S/C16H21BrN2/c1-11(2)6-7-16-8-9-19(3)15(16)18-14-10-12(17)4-5-13(14)16/h4-6,10,15,18H,7-9H2,1-3H3/t15-,16-/m0/s1
InChIKey NXURJBZDLHRCEU-HOTGVXAUSA-N
Mol Weight 321.26 g/mol
Molecular Formula C16H21BrN2
Exact Mass 320.088812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H6UqefG9Pti
Name Flustramine E
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21BrN2
InChI InChI=1S/C16H21BrN2/c1-11(2)6-7-16-8-9-19(3)15(16)18-14-10-12(17)4-5-13(14)16/h4-6,10,15,18H,7-9H2,1-3H3/t15-,16-/m0/s1
InChIKey NXURJBZDLHRCEU-HOTGVXAUSA-N
Molecular Weight 321.262 g/mol
SMILES N1c2c([C@]3([C@@]1(N(CC3)C)[H])CC=C(C)C)ccc(c2)Br
SPLASH splash10-0uk9-0195000000-62a8c2108631061ec79a
Source of Spectrum X2-57-999-1
Synonyms (3aS,8bS)-6-bromanyl-3-methyl-8b-(3-methylbut-2-enyl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole (3aS,8bS)-6-bromo-3-methyl-8b-(3-methylbut-2-enyl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole (3aS,8bS)-6-bromo-3-methyl-8b-(3-methylbut-2-enyl)-1,2,3a,4-tetrahydropyrrol[2,3-b]indole
Wiley ID 1605567