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(+-)-Arborescidine C
SpectraBase Compound ID 4tH29Z4H4OO
InChI InChI=1S/C16H19BrN2O/c1-18-8-7-12-11-6-5-10(17)9-14(11)19-15(20)4-2-3-13(18)16(12)19/h5-6,9,13,15,20H,2-4,7-8H2,1H3/t13-,15-/m0/s1
InChIKey SEKCREXSGCGPFK-ZFWWWQNUSA-N
Mol Weight 335.25 g/mol
Molecular Formula C16H19BrN2O
Exact Mass 334.068076 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KjWfUEhMoxc
Name (+-)-Arborescidine C
Alternate Name(s) (3aS,7S)-9-bromo-3-methyl-1,2,3,3a,4,5,6,7-octahydro-3,7a-diazacyclohepta[jk]fluoren-7-ol Arborescidine C
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Formula C16H19BrN2O
InChI InChI=1S/C16H19BrN2O/c1-18-8-7-12-11-6-5-10(17)9-14(11)19-15(20)4-2-3-13(18)16(12)19/h5-6,9,13,15,20H,2-4,7-8H2,1H3/t13-,15-/m0/s1
InChIKey SEKCREXSGCGPFK-ZFWWWQNUSA-N
Molecular Weight 335.245 g/mol
SMILES O[C@@]1([n]2c3c(CCN([C@]3(CCC1)[H])C)c1c2cc(cc1)Br)[H]
SPLASH splash10-0019-0069000000-49f2d519a8cfdb410bde
Source of Spectrum F-54-6143-3
Wiley ID 807298