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2,6-Dimethyl-5-oxoheptanoic acid
SpectraBase Compound ID 2D2b7bENv8y
InChI InChI=1S/C9H16O3/c1-6(2)8(10)5-4-7(3)9(11)12/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKey KFSWOOWOYKTCDK-UHFFFAOYSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8JnjINW3zZy
Name 2,6-DIMETHYL-5-OXOHEPTANOIC-ACID
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-6(2)8(10)5-4-7(3)9(11)12/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKey KFSWOOWOYKTCDK-UHFFFAOYSA-N
Literature Reference Author Y.MATSUURA,W.CHAI,E.ENDOH,J.SUHARA,H.HAMADA,C.A.HORIUCHI
Literature Reference Citation PHYTOCHEM.,61,669(2002)
Literature Reference DOI 10.1016/S0031-9422(02)00373-4
Molecular Weight 172.224 g/mol
Solvent CDCl3
Source File Reference UWLU29422