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1,4-ANHYDRO-1-[(S)-[(2'S,3'S)-2',4'-DIHYDROXY-3'-(SULFOOXY)-BUTYL]-SULFONIO]-D-ALLITOL-INNER-SALT
SpectraBase Compound ID C1mfKup7rVF
InChI InChI=1S/C10H20O10S2/c11-1-5(13)10-9(16)7(15)4-21(10)3-6(14)8(2-12)20-22(17,18)19/h5-16H,1-4H2/t5-,6+,7+,8+,9+,10-,21?/m1/s1
InChIKey JYCQATOKOULEKR-FPEVFVDASA-N
Mol Weight 364.38 g/mol
Molecular Formula C10H20O10S2
Exact Mass 364.049789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IF2pitB2nLp
Name 1,4-ANHYDRO-1-[(S)-[(2'S,3'S)-2',4'-DIHYDROXY-3'-(SULFOOXY)-BUTYL]-SULFONIO]-D-ALLITOL-INNER-SALT
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H20O10S2
InChI InChI=1S/C10H20O10S2/c11-1-5(13)10-9(16)7(15)4-21(10)3-6(14)8(2-12)20-22(17,18)19/h5-16H,1-4H2/t5-,6+,7+,8+,9+,10-,21?/m1/s1
InChIKey JYCQATOKOULEKR-FPEVFVDASA-N
Literature Reference Author H.LIU,B.M.PINTO
Literature Reference Citation CAN.J.CHEM.,84,1351(2006)
Literature Reference DOI 10.1139/v06-100
Molecular Weight 364.383 g/mol
Sample ID 46839
Solvent D2O