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6-(3'-chlorophenyl)-5-methyl-1,2,3,4,5,6-hexahydro-1,6-methano-1,5-benzodiazocin-11-one
SpectraBase Compound ID 38M5QPOe2rX
InChI InChI=1S/C18H17ClN2O/c1-20-10-5-11-21-16-9-3-2-8-15(16)18(20,17(21)22)13-6-4-7-14(19)12-13/h2-4,6-9,12H,5,10-11H2,1H3/t18-/m1/s1
InChIKey KRQMNDXFTKPTSG-GOSISDBHSA-N
Mol Weight 312.8 g/mol
Molecular Formula C18H17ClN2O
Exact Mass 312.102941 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 37Yjqde1B5L
Name 6-(3'-chlorophenyl)-5-methyl-1,2,3,4,5,6-hexahydro-1,6-methano-1,5-benzodiazocin-11-one
Alternate Name(s) 8-(3-Chlorophenyl)-9-methyl-1,9-diazatricyclo[6.4.1.0(2,7)]trideca-2,4,6-trien-13-one
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Formula C18H17ClN2O
InChI InChI=1S/C18H17ClN2O/c1-20-10-5-11-21-16-9-3-2-8-15(16)18(20,17(21)22)13-6-4-7-14(19)12-13/h2-4,6-9,12H,5,10-11H2,1H3/t18-/m1/s1
InChIKey KRQMNDXFTKPTSG-GOSISDBHSA-N
Molecular Weight 312.800 g/mol
SMILES [C@@]12(C(N(CCCN2C)c2c1cccc2)=O)c1cc(Cl)ccc1
SPLASH splash10-001i-1090000000-4649dd15e9f9bb2cbb07
Source of Spectrum KC-1991-1977-9
Wiley ID 1313363