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3-(4-Methoxyphenyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID 8lCGKfABIRJ
InChI InChI=1S/C27H23F3N2O2/c1-34-20-12-8-16(9-13-20)18-14-23-25(24(33)15-18)26(32-22-5-3-2-4-21(22)31-23)17-6-10-19(11-7-17)27(28,29)30/h2-13,18,26,31-32H,14-15H2,1H3
InChIKey PHUWDPQDGBLXBV-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 1fEyIFJp4qE
Name 3-(4-Methoxyphenyl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Alternate Name(s) 9-(4-Methoxyphenyl)-6-[4-(trifluoromethyl)phenyl]-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 C27H23F3N2O2
InChI InChI=1S/C27H23F3N2O2/c1-34-20-12-8-16(9-13-20)18-14-23-25(24(33)15-18)26(32-22-5-3-2-4-21(22)31-23)17-6-10-19(11-7-17)27(28,29)30/h2-13,18,26,31-32H,14-15H2,1H3
InChIKey PHUWDPQDGBLXBV-UHFFFAOYSA-N
Molecular Weight 464.488 g/mol
SMILES N1c2ccccc2NC(C2=C1CC(CC2=O)c1ccc(cc1)OC)c1ccc(C(F)(F)F)cc1
SPLASH splash10-014i-9812000000-c6fd629e85af361f0395
Wiley ID 1446687