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2-PROPIONYL-5-CARBOXYETHYL-CYClOHEXANE-1,3-DIONE
SpectraBase Compound ID 1UniQcWqwZX
InChI InChI=1S/C12H16O5/c1-3-8(13)11-9(14)5-7(6-10(11)15)12(16)17-4-2/h7,11H,3-6H2,1-2H3
InChIKey MJHQRRSBNKKDKV-UHFFFAOYSA-N
Mol Weight 240.25 g/mol
Molecular Formula C12H16O5
Exact Mass 240.099774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EYT5xD8WSBJ
Name 2-PROPIONYL-5-CARBOXYETHYL-CYClOHEXANE-1,3-DIONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16O5
InChI InChI=1S/C12H16O5/c1-3-8(13)11-9(14)5-7(6-10(11)15)12(16)17-4-2/h7,11H,3-6H2,1-2H3
InChIKey MJHQRRSBNKKDKV-UHFFFAOYSA-N
Literature Reference Author R.G.S.BROWN,L.YAN,M.H.BEALE,P.HEDDEN
Literature Reference Citation PHYTOCHEM.,47,679(1998)
Literature Reference DOI 10.1016/S0031-9422(97)00575-X
Molecular Weight 240.256 g/mol
Solvent CDCl3
Source File Reference UWMS212