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cis,exo-1,2,3,4,4a,13b-Hexahydro-1,4-methano-6-bromo-9H-tribenzo[b,f]azepine
SpectraBase Compound ID KjrbTtRmCYa
InChI InChI=1S/C19H18BrN/c20-13-7-8-17-15(10-13)19-12-6-5-11(9-12)18(19)14-3-1-2-4-16(14)21-17/h1-4,7-8,10-12,18-19,21H,5-6,9H2/t11-,12+,18-,19+/m1/s1
InChIKey SDPXXKUQUBPILJ-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 4ari1eEyIBM
Name cis,exo-1,2,3,4,4a,13b-Hexahydro-1,4-methano-6-bromo-9H-tribenzo[b,f]azepine
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Formula C19H18BrN
InChI InChI=1S/C19H18BrN/c20-13-7-8-17-15(10-13)19-12-6-5-11(9-12)18(19)14-3-1-2-4-16(14)21-17/h1-4,7-8,10-12,18-19,21H,5-6,9H2/t11-,12+,18-,19+/m1/s1
InChIKey SDPXXKUQUBPILJ-CUWOSUSNSA-N
Molecular Weight 340.264 g/mol
SMILES N1c2c([C@]3([C@@](c4ccccc14)([C@@]1(CC[C@]3(C1)[H])[H])[H])[H])cc(cc2)Br
SPLASH splash10-000f-0097000000-bf675999a27f2592866f
Source of Spectrum CCC-10-SM11-3i
Synonyms (1R,4S,4aR,13bS)-6-bromo-2,3,4,4a,9,13b-hexahydro-1H-1,4-methanotribenzo[b,d,f]azepine
Wiley ID 1812694