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3,3-Dimethyl-2,3,4,5,10,11-hexahydro-11-[phenyl]-1H-dibenzo-[b,e][1,4]diazepin-1-one
SpectraBase Compound ID BMJb4MsyFms
InChI InChI=1S/C21H22N2O/c1-21(2)12-17-19(18(24)13-21)20(14-8-4-3-5-9-14)23-16-11-7-6-10-15(16)22-17/h3-11,20,22-23H,12-13H2,1-2H3
InChIKey INEXZJWRARALIA-UHFFFAOYSA-N
Mol Weight 318.42 g/mol
Molecular Formula C21H22N2O
Exact Mass 318.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Yl5CGYLIW
Name 3,3-Dimethyl-2,3,4,5,10,11-hexahydro-11-[phenyl]-1H-dibenzo-[b,e][1,4]diazepin-1-one
Alternate Name(s) 3,3-Dimethyl-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O
InChI InChI=1S/C21H22N2O/c1-21(2)12-17-19(18(24)13-21)20(14-8-4-3-5-9-14)23-16-11-7-6-10-15(16)22-17/h3-11,20,22-23H,12-13H2,1-2H3
InChIKey INEXZJWRARALIA-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C4NJ01893A
Molecular Weight 318.420 g/mol
SMILES N1C(C2=C(Nc3c1cccc3)CC(CC2=O)(C)C)c1ccccc1
SPLASH splash10-0a4l-9231000000-cacd585af7f4bf40349c
Source of Spectrum Y2-39-1231-3a
Wiley ID 1804586