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HFLTZADIZWIVCK-UHFFFAOYSA-N
SpectraBase Compound ID AKGmyTrRInm
InChI InChI=1S/C9H16O3/c1-7(9(11)12-3)5-4-6-8(2)10/h7H,4-6H2,1-3H3
InChIKey HFLTZADIZWIVCK-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 31GHAvVPCs1
Name 6-OXO-2-METHYL-HEPTANOIC-ACID-METHYLESTER
Compound Number 1 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-7(9(11)12-3)5-4-6-8(2)10/h7H,4-6H2,1-3H3
InChIKey HFLTZADIZWIVCK-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 172.224 g/mol
Solvent CDCl3
Source File Reference UWMS21921