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2-PROPIONYL-5-CARBOXY-CYClOHEXANE-1,3-DIONE;PROHEXADIONE
SpectraBase Compound ID 4o1wFN5kZvA
InChI InChI=1S/C10H12O5/c1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13/h5,9H,2-4H2,1H3,(H,14,15)
InChIKey BUCOQPHDYUOJSI-UHFFFAOYSA-N
Mol Weight 212.2 g/mol
Molecular Formula C10H12O5
Exact Mass 212.068473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7VDCb9jll22
Name 2-PROPIONYL-5-CARBOXY-CYClOHEXANE-1,3-DIONE;PROHEXADIONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H12O5
InChI InChI=1S/C10H12O5/c1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13/h5,9H,2-4H2,1H3,(H,14,15)
InChIKey BUCOQPHDYUOJSI-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 212.202 g/mol
Solvent CDCl3
Source File Reference UWMS213