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(3E)-3-[2-(4-fluorophenyl)-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene]-6-methyl-pyran-2,4-quinone
SpectraBase Compound ID 4qNgkvT1XuU
InChI InChI=1S/C21H17FN2O3/c1-12-10-19(25)20(21(26)27-12)18-11-17(13-6-8-14(22)9-7-13)23-15-4-2-3-5-16(15)24-18/h2-10,17,23-24H,11H2,1H3/b20-18+
InChIKey GBTYPTRHSQETJP-CZIZESTLSA-N
Mol Weight 364.38 g/mol
Molecular Formula C21H17FN2O3
Exact Mass 364.122321 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JQQYQrhFs8j
Name (3E)-3-[2-(4-fluorophenyl)-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene]-6-methyl-pyran-2,4-quinone
Compound Number 1D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H17FN2O3
InChI InChI=1S/C21H17FN2O3/c1-12-10-19(25)20(21(26)27-12)18-11-17(13-6-8-14(22)9-7-13)23-15-4-2-3-5-16(15)24-18/h2-10,17,23-24H,11H2,1H3/b20-18+
InChIKey GBTYPTRHSQETJP-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 364.376 g/mol
Solvent CDCl3
Source File Reference UWLU36057