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2-[[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]thio]acetic acid
SpectraBase Compound ID BAT30zIMxys
InChI InChI=1S/C16H22O11S/c1-7(17)23-5-11-13(24-8(2)18)14(25-9(3)19)15(26-10(4)20)16(27-11)28-6-12(21)22/h11,13-16H,5-6H2,1-4H3,(H,21,22)/t11-,13-,14+,15-,16+/m1/s1
InChIKey JRBJUJMGVZJRDN-JZYAIQKZSA-N
Mol Weight 422.4 g/mol
Molecular Formula C16H22O11S
Exact Mass 422.088283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KwZIzgJADYn
Name 2-[[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]thio]acetic acid
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H22O11S
InChI InChI=1S/C16H22O11S/c1-7(17)23-5-11-13(24-8(2)18)14(25-9(3)19)15(26-10(4)20)16(27-11)28-6-12(21)22/h11,13-16H,5-6H2,1-4H3,(H,21,22)/t11-,13-,14+,15-,16+/m1/s1
InChIKey JRBJUJMGVZJRDN-JZYAIQKZSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 422.404 g/mol
Source File Reference MHKO15422