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PENTANEDIOIC-ACID-2-(1-METHYLETHYLIDENE)-1-METHYLESTER
SpectraBase Compound ID 75bjpCodv4a
InChI InChI=1S/C9H14O4/c1-6(2)7(9(12)13-3)4-5-8(10)11/h4-5H2,1-3H3,(H,10,11)
InChIKey AJDHMUGYYXWKAC-UHFFFAOYSA-N
Mol Weight 186.21 g/mol
Molecular Formula C9H14O4
Exact Mass 186.089209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Co9AZJAF4p
Name PENTANEDIOIC-ACID-2-(1-METHYLETHYLIDENE)-1-METHYLESTER
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H14O4
InChI InChI=1S/C9H14O4/c1-6(2)7(9(12)13-3)4-5-8(10)11/h4-5H2,1-3H3,(H,10,11)
InChIKey AJDHMUGYYXWKAC-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 186.208 g/mol
Solvent C6D6
Source File Reference UWSI7191