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(3E)-3-[2-(4-fluorophenyl)-7,8-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene]-6-methyl-pyran-2,4-quinone
SpectraBase Compound ID J2UCpK8KYHk
InChI InChI=1S/C23H21FN2O3/c1-12-8-18-19(9-13(12)2)26-20(22-21(27)10-14(3)29-23(22)28)11-17(25-18)15-4-6-16(24)7-5-15/h4-10,17,25-26H,11H2,1-3H3/b22-20+
InChIKey WKDZCJRWIIAFSK-LSDHQDQOSA-N
Mol Weight 392.43 g/mol
Molecular Formula C23H21FN2O3
Exact Mass 392.153621 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FtAaglwKTDU
Name (3E)-3-[2-(4-fluorophenyl)-7,8-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene]-6-methyl-pyran-2,4-quinone
Compound Number 1G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H21FN2O3
InChI InChI=1S/C23H21FN2O3/c1-12-8-18-19(9-13(12)2)26-20(22-21(27)10-14(3)29-23(22)28)11-17(25-18)15-4-6-16(24)7-5-15/h4-10,17,25-26H,11H2,1-3H3/b22-20+
InChIKey WKDZCJRWIIAFSK-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 392.430 g/mol
Solvent CDCl3
Source File Reference UWLU36060