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4-TRICHLOROMETHYL-2-OXOPENTANOIC_ACID
SpectraBase Compound ID Lv2ewuf4Tvu
InChI InChI=1S/C6H7Cl3O3/c1-3(6(7,8)9)2-4(10)5(11)12/h3H,2H2,1H3,(H,11,12)
InChIKey GQJMSCUWQMUACW-UHFFFAOYSA-N
Mol Weight 233.48 g/mol
Molecular Formula C6H7Cl3O3
Exact Mass 231.946077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CDeYYTDFic
Name 4-TRICHLOROMETHYL-2-OXOPENTANOIC_ACID
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H7Cl3O3
InChI InChI=1S/C6H7Cl3O3/c1-3(6(7,8)9)2-4(10)5(11)12/h3H,2H2,1H3,(H,11,12)
InChIKey GQJMSCUWQMUACW-UHFFFAOYSA-N
Literature Reference Author P.M.FLATT,S.J.OCONNELL,K.L.MCPHAIL,G.ZELLER,C.L.WILLIS,D.H.S HERMAN,W.H.GERWICK
Literature Reference Citation J.NAT.PROD.,69,938(2006)
Literature Reference DOI 10.1021/np050523q
Molecular Weight 233.479 g/mol
Solvent CDCl3
Source File Reference UWMZ18583