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(2S,4S,5S)-2-chloro-4,5-dihydroxy-6-keto-6-methoxy-hexanoic acid

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(2S,4S,5S)-2-chloro-4,5-dihydroxy-6-keto-6-methoxy-hexanoic acid
SpectraBase Compound ID BbMGYHoKZ3L
InChI InChI=1S/C7H11ClO6/c1-14-7(13)5(10)4(9)2-3(8)6(11)12/h3-5,9-10H,2H2,1H3,(H,11,12)/t3-,4-,5-/m0/s1
InChIKey XQSPJYDCNUIXHG-YUPRTTJUSA-N
Mol Weight 226.61 g/mol
Molecular Formula C7H11ClO6
Exact Mass 226.024416 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IwiHZPVuBQV
Name (2S,4S,5S)-2-chloro-4,5-dihydroxy-6-keto-6-methoxy-hexanoic acid
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H11ClO6
InChI InChI=1S/C7H11ClO6/c1-14-7(13)5(10)4(9)2-3(8)6(11)12/h3-5,9-10H,2H2,1H3,(H,11,12)/t3-,4-,5-/m0/s1
InChIKey XQSPJYDCNUIXHG-YUPRTTJUSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 226.614 g/mol
Source File Reference MHKO1874