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(3E)-6-methyl-3-[2-[4-(trifluoromethyl)phenyl]-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene]pyran-2,4-quinone
SpectraBase Compound ID GEPdOUyoRSe
InChI InChI=1S/C22H17F3N2O3/c1-12-10-19(28)20(21(29)30-12)18-11-17(26-15-4-2-3-5-16(15)27-18)13-6-8-14(9-7-13)22(23,24)25/h2-10,17,26-27H,11H2,1H3/b20-18+
InChIKey HRQKAJCTJHXWAK-CZIZESTLSA-N
Mol Weight 414.38 g/mol
Molecular Formula C22H17F3N2O3
Exact Mass 414.119127 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7e7SZ0FZHHY
Name (3E)-6-methyl-3-[2-[4-(trifluoromethyl)phenyl]-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene]pyran-2,4-quinone
Compound Number 1E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H17F3N2O3
InChI InChI=1S/C22H17F3N2O3/c1-12-10-19(28)20(21(29)30-12)18-11-17(26-15-4-2-3-5-16(15)27-18)13-6-8-14(9-7-13)22(23,24)25/h2-10,17,26-27H,11H2,1H3/b20-18+
InChIKey HRQKAJCTJHXWAK-CZIZESTLSA-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 414.384 g/mol
Solvent CDCl3
Source File Reference UWLU36058