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CLIVORIC-ACID;2-ACETOXY-5-CARBOXY-2,3-DIMETHYL-4,6-HEPTADIENOIC-ACID

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CLIVORIC-ACID;2-ACETOXY-5-CARBOXY-2,3-DIMETHYL-4,6-HEPTADIENOIC-ACID
SpectraBase Compound ID 6JPBo7IiOCZ
InChI InChI=1S/C12H16O6/c1-5-9(10(14)15)6-7(2)12(4,11(16)17)18-8(3)13/h5-7H,1H2,2-4H3,(H,14,15)(H,16,17)/b9-6-/t7-,12?/m0/s1
InChIKey COTYXWUUKYTCGJ-LIUXRDBGSA-N
Mol Weight 256.25 g/mol
Molecular Formula C12H16O6
Exact Mass 256.094688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6fba7YSRanU
Name CLIVORIC-ACID;2-ACETOXY-5-CARBOXY-2,3-DIMETHYL-4,6-HEPTADIENOIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16O6
InChI InChI=1S/C12H16O6/c1-5-9(10(14)15)6-7(2)12(4,11(16)17)18-8(3)13/h5-7H,1H2,2-4H3,(H,14,15)(H,16,17)/b9-6-/t7-,12?/m0/s1
InChIKey COTYXWUUKYTCGJ-LIUXRDBGSA-N
Literature Reference Author G.LIN,Y.Y.CUI,E.M.HAWES
Literature Reference Citation DRUG.MET.DISP.,28,1475(2000)
Molecular Weight 256.255 g/mol
Source File Reference UWLU74443