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3-CHLORO-2-(2-NITROBENZOYL)-2-CYCLOHEXEN-1-ONE
SpectraBase Compound ID 3pxpNtzD0Ms
InChI InChI=1S/C13H10ClNO4/c14-9-5-3-7-11(16)12(9)13(17)8-4-1-2-6-10(8)15(18)19/h1-2,4,6H,3,5,7H2
InChIKey YFYHNUIHCYELLM-UHFFFAOYSA-N
Mol Weight 279.68 g/mol
Molecular Formula C13H10ClNO4
Exact Mass 279.029836 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Flca54G3nE4
Name 3-CHLORO-2-(2-NITROBENZOYL)-2-CYCLOHEXEN-1-ONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H10ClNO4
InChI InChI=1S/C13H10ClNO4/c14-9-5-3-7-11(16)12(9)13(17)8-4-1-2-6-10(8)15(18)19/h1-2,4,6H,3,5,7H2
InChIKey YFYHNUIHCYELLM-UHFFFAOYSA-N
Literature Reference Author C.S.WU,J.L.HUANG,Y.S.SUN,D.Y.YANG
Literature Reference Citation J.MED.CHEM.,45,2222(2002)
Literature Reference DOI 10.1021/jm010568y
Molecular Weight 279.680 g/mol
Sample ID 64381
Solvent CDCl3