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3,3-Dimethyl-2,3,4,5,10,11-hexahydro-11-[(3-hydroxy)phenyl]-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID 6Z60gKrzQDe
InChI InChI=1S/C21H22N2O2/c1-21(2)11-17-19(18(25)12-21)20(13-6-5-7-14(24)10-13)23-16-9-4-3-8-15(16)22-17/h3-10,20,22-24H,11-12H2,1-2H3
InChIKey QSEQNCIGXZQSGC-UHFFFAOYSA-N
Mol Weight 334.42 g/mol
Molecular Formula C21H22N2O2
Exact Mass 334.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID aoGBo1G1w3
Name 3,3-Dimethyl-2,3,4,5,10,11-hexahydro-11-[(3-hydroxy)phenyl]-1H-dibenzo[b,e][1,4]diazepin-1-one
Alternate Name(s) 11-(3-hydroxyphenyl)-3,3-dimethyl-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 C21H22N2O2
InChI InChI=1S/C21H22N2O2/c1-21(2)11-17-19(18(25)12-21)20(13-6-5-7-14(24)10-13)23-16-9-4-3-8-15(16)22-17/h3-10,20,22-24H,11-12H2,1-2H3
InChIKey QSEQNCIGXZQSGC-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C4NJ01893A
Molecular Weight 334.419 g/mol
SMILES N1C(c2cc(ccc2)O)C2=C(Nc3c1cccc3)CC(CC2=O)(C)C
SPLASH splash10-0apl-9121000000-2f8a4ca26fcc95eec806
Source of Spectrum Y2-39-1232-3o
Wiley ID 1804597