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cis,exo-4,4a,9,13b-Tetrahydro-1H-1,4-methano-7-chloro-tribenzo[b,f]azepine
SpectraBase Compound ID BzeQtIFZUcw
InChI InChI=1S/C19H16ClN/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/h1-8,10-12,18-19,21H,9H2/t11-,12+,18-,19+/m1/s1
InChIKey IWVUBPAYXSZTPN-CUWOSUSNSA-N
Mol Weight 293.8 g/mol
Molecular Formula C19H16ClN
Exact Mass 293.097127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYdoYVACkKs
Name cis,exo-4,4a,9,13b-Tetrahydro-1H-1,4-methano-7-chloro-tribenzo[b,f]azepine
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Formula C19H16ClN
InChI InChI=1S/C19H16ClN/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/h1-8,10-12,18-19,21H,9H2/t11-,12+,18-,19+/m1/s1
InChIKey IWVUBPAYXSZTPN-CUWOSUSNSA-N
Molecular Weight 293.797 g/mol
SMILES N1c2c([C@@]3([C@](c4ccc(cc14)Cl)([C@@]1(C[C@]3(C=C1)[H])[H])[H])[H])cccc2
SPLASH splash10-004i-0290000000-9b2bce69aed208dd610e
Source of Spectrum CCC-10-SM15-5o'
Synonyms (1S,4R,4aR,13bS)-7-chloro-4,4a,9,13b-tetrahydro-1H-1,4-methanotribenzo[b,d,f]azepine
Wiley ID 1812710