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2-(1-METHYLETHYLIDENE)-PENTANEDIOIC-ACID
SpectraBase Compound ID KDQlaH2pd2j
InChI InChI=1S/C8H12O4/c1-5(2)6(8(11)12)3-4-7(9)10/h3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKey FMLQKYAZHSLEKX-UHFFFAOYSA-N
Mol Weight 172.18 g/mol
Molecular Formula C8H12O4
Exact Mass 172.073559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FiYKX5wsumR
Name 2-(1-METHYLETHYLIDENE)-PENTANEDIOIC-ACID
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H12O4
InChI InChI=1S/C8H12O4/c1-5(2)6(8(11)12)3-4-7(9)10/h3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKey FMLQKYAZHSLEKX-UHFFFAOYSA-N
Literature Reference Author A.ABDEL-LATEFF,G.M.KOENIG,K.M.FISCH,U.HOELLER,P.G.JONES,A.D. WRIGHT
Literature Reference Citation J.NAT.PROD.,65,1605(2002)
Literature Reference DOI 10.1021/np020128p
Molecular Weight 172.181 g/mol
Solvent ACETONE-D6
Source File Reference UWSI7189