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11-(4-Bromophenyl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID 1K0ZNl4Xmuf
InChI InChI=1S/C27H25BrN2O3/c1-32-24-12-9-17(15-25(24)33-2)18-13-22-26(23(31)14-18)27(16-7-10-19(28)11-8-16)30-21-6-4-3-5-20(21)29-22/h3-12,15,18,27,29-30H,13-14H2,1-2H3
InChIKey BRUZQMHBHJZKLJ-UHFFFAOYSA-N
Mol Weight 505.41 g/mol
Molecular Formula C27H25BrN2O3
Exact Mass 504.104856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1tvld139o2V
Name 11-(4-Bromophenyl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Alternate Name(s) 6-(4-bromophenyl)-9-(3,4-dimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25BrN2O3
InChI InChI=1S/C27H25BrN2O3/c1-32-24-12-9-17(15-25(24)33-2)18-13-22-26(23(31)14-18)27(16-7-10-19(28)11-8-16)30-21-6-4-3-5-20(21)29-22/h3-12,15,18,27,29-30H,13-14H2,1-2H3
InChIKey BRUZQMHBHJZKLJ-UHFFFAOYSA-N
Molecular Weight 505.412 g/mol
SMILES N1c2ccccc2NC(C2=C1CC(CC2=O)c1cc(OC)c(cc1)OC)c1ccc(cc1)Br
SPLASH splash10-0002-1967000000-ac26d40cc7d90fd2ffe7
Wiley ID 1455046