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6,1',6'-TRI-O-(2,4,6-TRIMETHYLBENZENESULFONYL)-SUCROSE
SpectraBase Compound ID 4YE5hTUA01Y
InChI InChI=1S/C39H52O17S3/c1-19-10-22(4)34(23(5)11-19)57(45,46)51-16-28-30(40)32(42)33(43)38(54-28)56-39(18-53-59(49,50)36-26(8)14-21(3)15-27(36)9)37(44)31(41)29(55-39)17-52-58(47,48)35-24(6)12-20(2)13-25(35)7/h10-15,28-33,37-38,40-44H,16-18H2,1-9H3/t28-,29-,30-,31-,32+,33-,37+,38-,39+/m0/s1
InChIKey HNFQIEFNUSOSHL-XBOAYZJTSA-N
Mol Weight 889.0 g/mol
Molecular Formula C39H52O17S3
Exact Mass 888.236664 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FBUsepSAAyd
Name 6,1',6'-TRI-O-(2,4,6-TRIMETHYLBENZENESULFONYL)-SUCROSE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H52O17S3
InChI InChI=1S/C39H52O17S3/c1-19-10-22(4)34(23(5)11-19)57(45,46)51-16-28-30(40)32(42)33(43)38(54-28)56-39(18-53-59(49,50)36-26(8)14-21(3)15-27(36)9)37(44)31(41)29(55-39)17-52-58(47,48)35-24(6)12-20(2)13-25(35)7/h10-15,28-33,37-38,40-44H,16-18H2,1-9H3/t28-,29-,30-,31-,32+,33-,37+,38-,39+/m0/s1
InChIKey HNFQIEFNUSOSHL-XBOAYZJTSA-N
Literature Reference Author R.D.G.GUTHRIE,I.D.JENKINS,J.J.WATTERS
Literature Reference Citation AUSTR.J.CHEM.,33,2487(1980)
Literature Reference DOI 10.1071/ch9802487
Molecular Weight 889.012 g/mol
Solvent ACETONE-D6
Source File Reference UWED1634