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6-OXO-2-METHYL-HEPTANOIC-ACID
SpectraBase Compound ID H3GJKmFzEHa
InChI InChI=1S/2C8H14O3/c2*1-6(8(10)11)4-3-5-7(2)9/h2*6H,3-5H2,1-2H3,(H,10,11)
InChIKey DQGUESYVKICURT-UHFFFAOYSA-N
Mol Weight 316.39 g/mol
Molecular Formula C16H28O6
Exact Mass 316.188589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BVN0xuvGrcF
Name 6-OXO-2-METHYL-HEPTANOIC-ACID
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H28O6
InChI InChI=1S/2C8H14O3/c2*1-6(8(10)11)4-3-5-7(2)9/h2*6H,3-5H2,1-2H3,(H,10,11)
InChIKey DQGUESYVKICURT-UHFFFAOYSA-N
Literature Reference Author S.A.S.POPE,G.E.BURTIN,P.T.CLAYTON,D.J.MADGE,D.P.R.MULLER
Literature Reference Citation BIOORG.MED.CHEM.,9,1337(2001)
Literature Reference DOI 10.1016/S0968-0896(01)00010-4
Molecular Weight 316.395 g/mol
Solvent CDCl3
Source File Reference UWMS21920