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3,3-Dimethyl-8-[(p-methyl)phenoxy]-11-[(o-chloro)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID 44RmQcRbpe
InChI InChI=1S/C28H27ClN2O2/c1-17-8-10-18(11-9-17)33-19-12-13-22-23(14-19)31-27(20-6-4-5-7-21(20)29)26-24(30-22)15-28(2,3)16-25(26)32/h4-14,27,30-31H,15-16H2,1-3H3
InChIKey HVLHZRYTYNCCLF-UHFFFAOYSA-N
Mol Weight 458.99 g/mol
Molecular Formula C28H27ClN2O2
Exact Mass 458.176106 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JvCvyDqlVCs
Name 3,3-Dimethyl-8-[(p-methyl)phenoxy]-11-[(o-chloro)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
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Formula C28H27ClN2O2
InChI InChI=1S/C28H27ClN2O2/c1-17-8-10-18(11-9-17)33-19-12-13-22-23(14-19)31-27(20-6-4-5-7-21(20)29)26-24(30-22)15-28(2,3)16-25(26)32/h4-14,27,30-31H,15-16H2,1-3H3
InChIKey HVLHZRYTYNCCLF-UHFFFAOYSA-N
Molecular Weight 458.989 g/mol
SMILES N1c2cc(ccc2NC2=C(C1c1c(Cl)cccc1)C(CC(C)(C)C2)=O)Oc1ccc(cc1)C
SPLASH splash10-052b-0009800000-bfd32a74905562268436
Source of Spectrum Y-46-1117-9
Wiley ID 1666977