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3,4,5-trihydroxy-1-cyclohexene-1-carboxylic acid
SpectraBase Compound ID Hv9clH1tN6d
InChI InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)
InChIKey JXOHGGNKMLTUBP-UHFFFAOYSA-N
Mol Weight 174.15 g/mol
Molecular Formula C7H10O5
Exact Mass 174.052823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DkB3MMub4xO
Name (3R,4S,5S)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENECARBOXYLIC_ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H10O5
InChI InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)
InChIKey JXOHGGNKMLTUBP-UHFFFAOYSA-N
Literature Reference Author S.JIANG,K.J.MCCULLOUGH,B.MEKKI,G.SINGH,R.H.WIGHTMAN
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1805(1997)
Literature Reference DOI 10.1039/a700389g
Molecular Weight 174.153 g/mol
Solvent CDCl3
Source File Reference UWBS1265