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2-(2-NITROBENZOYL)-3-HYDROXYCYCLOHEX-2-ENONE
SpectraBase Compound ID 4fsOTqxjvA0
InChI InChI=1S/C13H13NO4/c15-12-6-3-7-13(16)10(12)8-9-4-1-2-5-11(9)14(17)18/h1-2,4-5,15H,3,6-8H2
InChIKey UWSJWNJASAZPSV-UHFFFAOYSA-N
Mol Weight 247.25 g/mol
Molecular Formula C13H13NO4
Exact Mass 247.084458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IyNOXzJe2ny
Name 2-(2-NITROBENZOYL)-3-HYDROXYCYCLOHEX-2-ENONE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13NO4
InChI InChI=1S/C13H13NO4/c15-12-6-3-7-13(16)10(12)8-9-4-1-2-5-11(9)14(17)18/h1-2,4-5,15H,3,6-8H2
InChIKey UWSJWNJASAZPSV-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 247.251 g/mol
Sample ID 64384
Solvent CDCl3