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3-(4-Methoxyphenyl)-11-[2-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID AnBcLKhRerm
InChI InChI=1S/C27H23F3N2O2/c1-34-18-12-10-16(11-13-18)17-14-23-25(24(33)15-17)26(32-22-9-5-4-8-21(22)31-23)19-6-2-3-7-20(19)27(28,29)30/h2-13,17,26,31-32H,14-15H2,1H3
InChIKey IQKSWEVXAVPPOE-UHFFFAOYSA-N
Mol Weight 464.49 g/mol
Molecular Formula C27H23F3N2O2
Exact Mass 464.171162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZ7QIgQSX8O
Name 3-(4-Methoxyphenyl)-11-[2-(trifluoromethyl)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 C27H23F3N2O2
InChI InChI=1S/C27H23F3N2O2/c1-34-18-12-10-16(11-13-18)17-14-23-25(24(33)15-17)26(32-22-9-5-4-8-21(22)31-23)19-6-2-3-7-20(19)27(28,29)30/h2-13,17,26,31-32H,14-15H2,1H3
InChIKey IQKSWEVXAVPPOE-UHFFFAOYSA-N
Molecular Weight 464.488 g/mol
SMILES N1c2ccccc2NC(C2=C1CC(CC2=O)c1ccc(cc1)OC)c1c(C(F)(F)F)cccc1
SPLASH splash10-014i-5922000000-12029922c0506e8532be
Synonyms 9-(4-Methoxyphenyl)-6-[2-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Wiley ID 1446677