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cis,exo-1,2,3,4,4a,13b-Hexahydro-1,4-methano-7-chloro-9H-tribenzo[b,f]azepine
SpectraBase Compound ID uuj1mn07oP
InChI InChI=1S/C19H18ClN/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 UADWSZIKCVGVRQ-CUWOSUSNSA-N
Mol Weight 295.81 g/mol
Molecular Formula C19H18ClN
Exact Mass 295.112777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F41WEFuZZEf
Name cis,exo-1,2,3,4,4a,13b-Hexahydro-1,4-methano-7-chloro-9H-tribenzo[b,f]azepine
Alternate Name(s) (1R,4S,4aR,13bS)-7-chloro-2,3,4,4a,9,13b-hexahydro-1H-1,4-methanotribenzo[b,d,f]azepine
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Formula C19H18ClN
InChI InChI=1S/C19H18ClN/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 UADWSZIKCVGVRQ-CUWOSUSNSA-N
Molecular Weight 295.813 g/mol
SMILES N1c2c([C@@]3([C@@]4(C[C@]([C@@]3(c3ccccc13)[H])(CC4)[H])[H])[H])ccc(c2)Cl
SPLASH splash10-01r2-0090000000-f209e46d0d692c1c1990
Source of Spectrum CCC-10-SM10-3f
Wiley ID 1812692