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3-Phenyl-11-[3-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID BZ9jqHKvovK
InChI InChI=1S/C26H21F3N2O/c27-26(28,29)19-10-6-9-17(13-19)25-24-22(30-20-11-4-5-12-21(20)31-25)14-18(15-23(24)32)16-7-2-1-3-8-16/h1-13,18,25,30-31H,14-15H2
InChIKey HJCKFKPMUDVFJX-UHFFFAOYSA-N
Mol Weight 434.46 g/mol
Molecular Formula C26H21F3N2O
Exact Mass 434.160598 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AiolnankKSb
Name 3-Phenyl-11-[3-(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 C26H21F3N2O
InChI InChI=1S/C26H21F3N2O/c27-26(28,29)19-10-6-9-17(13-19)25-24-22(30-20-11-4-5-12-21(20)31-25)14-18(15-23(24)32)16-7-2-1-3-8-16/h1-13,18,25,30-31H,14-15H2
InChIKey HJCKFKPMUDVFJX-UHFFFAOYSA-N
Molecular Weight 434.462 g/mol
SMILES N1c2ccccc2NC(C2=C1CC(CC2=O)c1ccccc1)c1cc(C(F)(F)F)ccc1
SPLASH splash10-000i-1491100000-015fe68c1c8300dd1539
Synonyms 9-Phenyl-6-[3-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Wiley ID 1455041