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(2S,4R)-2,4-DIHYDROXY-2-METHYLPENTYL-TOLUENE-1-SULFONATE
SpectraBase Compound ID GyYQYi9rElN
InChI InChI=1S/C13H20O5S/c1-10-4-6-12(7-5-10)19(16,17)18-9-13(3,15)8-11(2)14/h4-7,11,14-15H,8-9H2,1-3H3/t11-,13-/m1/s1
InChIKey SKXJIFOONZIHFW-DGCLKSJQSA-N
Mol Weight 288.36 g/mol
Molecular Formula C13H20O5S
Exact Mass 288.103145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3p8ua5BT6A6
Name (2S,4R)-2,4-DIHYDROXY-2-METHYLPENTYL-TOLUENE-1-SULFONATE
Compound Number (S/R)-14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H20O5S
InChI InChI=1S/C13H20O5S/c1-10-4-6-12(7-5-10)19(16,17)18-9-13(3,15)8-11(2)14/h4-7,11,14-15H,8-9H2,1-3H3/t11-,13-/m1/s1
InChIKey SKXJIFOONZIHFW-DGCLKSJQSA-N
Literature Reference Author D.ENDERS,I.BREUER,A.NUEHRING
Literature Reference Citation EUR.J.ORG.CHEM.,2677(2005)
Molecular Weight 288.359 g/mol
Sample ID 29494
Solvent C6D6