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cis,exo-1,2,3,4,4a,13b-Hexahydro-1,4-methano-6-chloro-9H-tribenzo[b,f]azepine
SpectraBase Compound ID 4QhzZqPAwwK
InChI InChI=1S/C19H18ClN/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 NRTCMBUSCYKCBP-NEYQJUBMSA-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 MSqmr6g9UD
Name cis,exo-1,2,3,4,4a,13b-Hexahydro-1,4-methano-6-chloro-9H-tribenzo[b,f]azepine
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Formula C19H18ClN
InChI InChI=1S/C19H18ClN/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 NRTCMBUSCYKCBP-NEYQJUBMSA-N
Molecular Weight 295.813 g/mol
SMILES N1c2c([C@]3([C@@]4(CC[C@]([C@]3(c3c1ccc(c3)Cl)[H])(C4)[H])[H])[H])cccc2
SPLASH splash10-01r2-0090000000-534810921d16ba46ae06
Source of Spectrum CCC-10-SM8-3d
Synonyms (1R,4S,4aR,13bS)-6-chloro-2,3,4,4a,9,13b-hexahydro-1H-1,4-methanotribenzo[b,d,f]azepine
Wiley ID 1812690