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3,3-Dimethyl-2,3,4,5,10,11-hexahydro-11-[(2-chloro)phenyl]-1Hdibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID FQJIg5kvdQj
InChI InChI=1S/C21H21ClN2O/c1-21(2)11-17-19(18(25)12-21)20(13-7-3-4-8-14(13)22)24-16-10-6-5-9-15(16)23-17/h3-10,20,23-24H,11-12H2,1-2H3
InChIKey JNFHSCFXVNXKOA-UHFFFAOYSA-N
Mol Weight 352.87 g/mol
Molecular Formula C21H21ClN2O
Exact Mass 352.134241 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ir5DtNpmUL6
Name 3,3-Dimethyl-2,3,4,5,10,11-hexahydro-11-[(2-chloro)phenyl]-1Hdibenzo[b,e][1,4]diazepin-1-one
Alternate Name(s) 11-(2-chlorophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
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Formula C21H21ClN2O
InChI InChI=1S/C21H21ClN2O/c1-21(2)11-17-19(18(25)12-21)20(13-7-3-4-8-14(13)22)24-16-10-6-5-9-15(16)23-17/h3-10,20,23-24H,11-12H2,1-2H3
InChIKey JNFHSCFXVNXKOA-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C4NJ01893A
Molecular Weight 352.865 g/mol
SMILES N1C(C2=C(Nc3c1cccc3)CC(CC2=O)(C)C)c1c(cccc1)Cl
SPLASH splash10-052g-9253000000-6ca81dc8059305121615
Source of Spectrum Y2-39-1231-3f
Wiley ID 1804589