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2-ALLYL-2-(ORTHO-NITROPHENYL)-1,3-CYClOHEXANEDIONE
SpectraBase Compound ID LwkRgUScQXt
InChI InChI=1S/C15H15NO4/c1-2-10-15(13(17)8-5-9-14(15)18)11-6-3-4-7-12(11)16(19)20/h2-4,6-7H,1,5,8-10H2
InChIKey GPJKOEOGIBIBQD-UHFFFAOYSA-N
Mol Weight 273.29 g/mol
Molecular Formula C15H15NO4
Exact Mass 273.100108 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EkYWoq9TSAk
Name 2-ALLYL-2-(ORTHO-NITROPHENYL)-1,3-CYClOHEXANEDIONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H15NO4
InChI InChI=1S/C15H15NO4/c1-2-10-15(13(17)8-5-9-14(15)18)11-6-3-4-7-12(11)16(19)20/h2-4,6-7H,1,5,8-10H2
InChIKey GPJKOEOGIBIBQD-UHFFFAOYSA-N
Literature Reference Author J.BONJOCH,D.SOLE,X.CUESTA
Literature Reference Citation HETEROCYCLES,45,315(1997)
Literature Reference DOI 10.3987/COM-96-7664
Molecular Weight 273.288 g/mol
Solvent CDCl3
Source File Reference UWMZ1710