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3-HYDROXY-2-(2-NITROBENZOYL)-CYCLOHEX-2-EN-1-ONE
SpectraBase Compound ID ITs2YMzHU3M
InChI InChI=1S/C13H11NO5/c15-10-6-3-7-11(16)12(10)13(17)8-4-1-2-5-9(8)14(18)19/h1-2,4-5,15H,3,6-7H2
InChIKey AAIYXAWXNWXMMS-UHFFFAOYSA-N
Mol Weight 261.23 g/mol
Molecular Formula C13H11NO5
Exact Mass 261.063722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AxSFKCbfIS0
Name 3-HYDROXY-2-(2-NITROBENZOYL)-CYCLOHEX-2-EN-1-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11NO5
InChI InChI=1S/C13H11NO5/c15-10-6-3-7-11(16)12(10)13(17)8-4-1-2-5-9(8)14(18)19/h1-2,4-5,15H,3,6-7H2
InChIKey AAIYXAWXNWXMMS-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 261.234 g/mol
Sample ID 64377
Solvent CDCl3