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(3E)-3-[7,8-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene]-6-methyl-pyran-2,4-quinone

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(3E)-3-[7,8-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene]-6-methyl-pyran-2,4-quinone
SpectraBase Compound ID A6H72q6z2Om
InChI InChI=1S/C24H21F3N2O3/c1-12-8-18-19(9-13(12)2)29-20(22-21(30)10-14(3)32-23(22)31)11-17(28-18)15-4-6-16(7-5-15)24(25,26)27/h4-10,17,28-29H,11H2,1-3H3/b22-20+
InChIKey AADDQTVCBUJFGO-LSDHQDQOSA-N
Mol Weight 442.44 g/mol
Molecular Formula C24H21F3N2O3
Exact Mass 442.150427 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4lFYr25Eb7U
Name (3E)-3-[7,8-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene]-6-methyl-pyran-2,4-quinone
Compound Number 1H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H21F3N2O3
InChI InChI=1S/C24H21F3N2O3/c1-12-8-18-19(9-13(12)2)29-20(22-21(30)10-14(3)32-23(22)31)11-17(28-18)15-4-6-16(7-5-15)24(25,26)27/h4-10,17,28-29H,11H2,1-3H3/b22-20+
InChIKey AADDQTVCBUJFGO-LSDHQDQOSA-N
Literature Reference Author E.M.TJIOU,E.G.LHOUSSAINE,D.VIRIEUX,A.FRUCHIER
Literature Reference Citation MAGN.RES.CHEM.,43,557(2005)
Literature Reference DOI 10.1002/mrc.1593
Molecular Weight 442.438 g/mol
Solvent CDCl3
Source File Reference UWLU36061