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CHLOROACETIC-ACID-DEUTERATED-CYCLIC-DIMER
SpectraBase Compound ID KtNekHk0Byi
InChI InChI=1S/C4H6Cl2O4/c5-1-3-7-11-9-4(2-6)10-12-8-3/h1-2H2/i11+1,12+1
InChIKey IBPGSPFJRMDJDN-ALQHTKJJSA-N
Mol Weight 191.01 g/mol
Molecular Formula C4H42H2Cl2O4
Exact Mass 189.976868 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9IZRfDsIxFz
Name CHLOROACETIC-ACID-DEUTERATED-CYCLIC-DIMER
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4H42H2Cl2O4
InChI InChI=1S/C4H6Cl2O4/c5-1-3-7-11-9-4(2-6)10-12-8-3/h1-2H2/i11+1,12+1
InChIKey IBPGSPFJRMDJDN-ALQHTKJJSA-N
Literature Reference Author P.M.TOLSTOY,P.SCHAH-MOHAMMEDI,S.N.SMIRNOV,N.S.GOLUBEV,G.S.DE NISOV,H.H.LIMBACH
Literature Reference Citation J.AM.CHEM.SOC.,126,5621(2004)
Literature Reference DOI 10.1021/ja039280j
Molecular Weight 191.008 g/mol
Sample ID 31314
Solvent CDF3:CDF2Cl=4:1