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JAPODIC-ACID;2-METHYL-4,5-DIMETHYLMETHYLENE-8-OXO-NONANOIC-ACID

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JAPODIC-ACID;2-METHYL-4,5-DIMETHYLMETHYLENE-8-OXO-NONANOIC-ACID
SpectraBase Compound ID 5fg3E4AiK2i
InChI InChI=1S/C13H22O3/c1-8(12(15)16)7-11-10(13(11,3)4)6-5-9(2)14/h8,10-11H,5-7H2,1-4H3,(H,15,16)/t8?,10-,11+/m0/s1
InChIKey PTUPSSAMJDDAEV-JCBFREDQSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5CyW7d0LHnd
Name JAPODIC-ACID;2-METHYL-4,5-DIMETHYLMETHYLENE-8-OXO-NONANOIC-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-8(12(15)16)7-11-10(13(11,3)4)6-5-9(2)14/h8,10-11H,5-7H2,1-4H3,(H,15,16)/t8?,10-,11+/m0/s1
InChIKey PTUPSSAMJDDAEV-JCBFREDQSA-N
Literature Reference Author O.O.AIYELAAGBE,J.B.GLOER
Literature Reference Citation REC.NAT.PROD.,2,100(2008)
Molecular Weight 226.316 g/mol
Solvent CDCl3
Source File Reference UWBT15422