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3,3-Dimethyl-8-[(o-methyl)phenoxy]-11-[(o-methyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID 2bIr0deAs94
InChI InChI=1S/C29H30N2O2/c1-18-9-5-7-11-21(18)28-27-24(16-29(3,4)17-25(27)32)30-22-14-13-20(15-23(22)31-28)33-26-12-8-6-10-19(26)2/h5-15,28,30-31H,16-17H2,1-4H3
InChIKey INYOQENYOOFQQL-UHFFFAOYSA-N
Mol Weight 438.57 g/mol
Molecular Formula C29H30N2O2
Exact Mass 438.230728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ERcOsWIigL
Name 3,3-Dimethyl-8-[(o-methyl)phenoxy]-11-[(o-methyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Alternate Name(s) 9,9-Dimethyl-3-(2-methylphenoxy)-6-(2-methylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H30N2O2
InChI InChI=1S/C29H30N2O2/c1-18-9-5-7-11-21(18)28-27-24(16-29(3,4)17-25(27)32)30-22-14-13-20(15-23(22)31-28)33-26-12-8-6-10-19(26)2/h5-15,28,30-31H,16-17H2,1-4H3
InChIKey INYOQENYOOFQQL-UHFFFAOYSA-N
Molecular Weight 438.571 g/mol
SMILES N1c2ccc(cc2NC(C2=C1CC(CC2=O)(C)C)c1c(C)cccc1)Oc1c(C)cccc1
SPLASH splash10-000b-0008900000-c1f05f47a1ba2ff59619
Source of Spectrum Y-46-1116-1
Wiley ID 1666985