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3-METHOXY-2-(2-NITROBENZOYL)-2-CYCLOHEXEN-1-ONE
SpectraBase Compound ID 9xjOabty8Xb
InChI InChI=1S/C14H13NO5/c1-20-12-8-4-7-11(16)13(12)14(17)9-5-2-3-6-10(9)15(18)19/h2-3,5-6H,4,7-8H2,1H3
InChIKey QINIUXGCZIPLAI-UHFFFAOYSA-N
Mol Weight 275.26 g/mol
Molecular Formula C14H13NO5
Exact Mass 275.079373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HwAHt8u8p9u
Name 3-METHOXY-2-(2-NITROBENZOYL)-2-CYCLOHEXEN-1-ONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H13NO5
InChI InChI=1S/C14H13NO5/c1-20-12-8-4-7-11(16)13(12)14(17)9-5-2-3-6-10(9)15(18)19/h2-3,5-6H,4,7-8H2,1H3
InChIKey QINIUXGCZIPLAI-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 275.261 g/mol
Sample ID 64380
Solvent CDCl3