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cis,exo-1,2,3,4,4a,13b-Hexahydro-1,4-methano-7-bromo-9H-tribenzo[b,f]azepine
SpectraBase Compound ID JwlyPI5gxk8
InChI InChI=1S/C19H18BrN/c20-13-7-8-15-17(10-13)21-16-4-2-1-3-14(16)18-11-5-6-12(9-11)19(15)18/h1-4,7-8,10-12,18-19,21H,5-6,9H2/t11-,12+,18-,19+/m1/s1
InChIKey ILYZTHIWIUIJLY-CUWOSUSNSA-N
Mol Weight 340.26 g/mol
Molecular Formula C19H18BrN
Exact Mass 339.062263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DZ6G0NkX2
Name cis,exo-1,2,3,4,4a,13b-Hexahydro-1,4-methano-7-bromo-9H-tribenzo[b,f]azepine
Alternate Name(s) (1R,4S,4aR,13bS)-7-bromo-2,3,4,4a,9,13b-hexahydro-1H-1,4-methanotribenzo[b,d,f]azepine
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Formula C19H18BrN
InChI InChI=1S/C19H18BrN/c20-13-7-8-15-17(10-13)21-16-4-2-1-3-14(16)18-11-5-6-12(9-11)19(15)18/h1-4,7-8,10-12,18-19,21H,5-6,9H2/t11-,12+,18-,19+/m1/s1
InChIKey ILYZTHIWIUIJLY-CUWOSUSNSA-N
Molecular Weight 340.264 g/mol
SMILES N1c2c([C@]3([C@@](c4ccccc14)([C@@]1(CC[C@]3(C1)[H])[H])[H])[H])ccc(c2)Br
SPLASH splash10-00dl-0195000000-9a13ec641c5cf5442b1d
Source of Spectrum CCC-10-SM11-3j
Wiley ID 1812695