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11-(3-Bromo-4-fluorophenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID miSpai9wg8
InChI InChI=1S/C26H22BrFN2O2/c1-32-18-9-6-15(7-10-18)17-13-23-25(24(31)14-17)26(16-8-11-20(28)19(27)12-16)30-22-5-3-2-4-21(22)29-23/h2-12,17,26,29-30H,13-14H2,1H3
InChIKey FMNJHPVEJVEDJB-UHFFFAOYSA-N
Mol Weight 493.38 g/mol
Molecular Formula C26H22BrFN2O2
Exact Mass 492.084869 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID INGz0HLJFv5
Name 11-(3-Bromo-4-fluorophenyl)-3-(4-methoxyphenyl)-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 C26H22BrFN2O2
InChI InChI=1S/C26H22BrFN2O2/c1-32-18-9-6-15(7-10-18)17-13-23-25(24(31)14-17)26(16-8-11-20(28)19(27)12-16)30-22-5-3-2-4-21(22)29-23/h2-12,17,26,29-30H,13-14H2,1H3
InChIKey FMNJHPVEJVEDJB-UHFFFAOYSA-N
Molecular Weight 493.376 g/mol
SMILES N1c2ccccc2NC(C2=C1CC(CC2=O)c1ccc(cc1)OC)c1cc(Br)c(cc1)F
SPLASH splash10-014i-2639200000-71f5ae00b973bfbeccfe
Synonyms 6-(3-bromanyl-4-fluoranyl-phenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one 6-(3-bromo-4-fluoro-phenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Wiley ID 1462218