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3,5,5-TRICHLORO-1-ALPHA,4-ALPHA-DIHYDROXYCYCLOPENT-2-ENE-1-CARBOXYLIC-ACID
SpectraBase Compound ID 30mzM7FfqAx
InChI InChI=1S/C6H5Cl3O4/c7-2-1-5(13,4(11)12)6(8,9)3(2)10/h1,3,10,13H,(H,11,12)
InChIKey HDHBKTWWMRSPNH-UHFFFAOYSA-N
Mol Weight 247.46 g/mol
Molecular Formula C6H5Cl3O4
Exact Mass 245.925342 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B2ujQGNKJPZ
Name 3,5,5-TRICHLORO-1-ALPHA,4-ALPHA-DIHYDROXYCYCLOPENT-2-ENE-1-CARBOXYLIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H5Cl3O4
InChI InChI=1S/C6H5Cl3O4/c7-2-1-5(13,4(11)12)6(8,9)3(2)10/h1,3,10,13H,(H,11,12)
InChIKey HDHBKTWWMRSPNH-UHFFFAOYSA-N
Literature Reference Author R.M.CHRISTIE,R.W.RICKARDS,K.J.SCHMALZL,D.TAYLOR
Literature Reference Citation AUSTR.J.CHEM.,30,2195(1977)
Literature Reference DOI 10.1071/CH9772195
Molecular Weight 247.462 g/mol
Solvent ACETONE-D6
Source File Reference UWWR615