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3-Benzoyl-2,5-di-o-(p-toluenesulfonyl)galactosan
SpectraBase Compound ID J3DuW3X4k7c
InChI InChI=1S/C27H26O10S2/c1-17-8-12-20(13-9-17)38(29,30)36-23-22-16-33-27(34-22)25(24(23)35-26(28)19-6-4-3-5-7-19)37-39(31,32)21-14-10-18(2)11-15-21/h3-15,22-25,27H,16H2,1-2H3
InChIKey SAXSVKZNIVCMTL-UHFFFAOYSA-N
Mol Weight 574.62 g/mol
Molecular Formula C27H26O10S2
Exact Mass 574.096739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HcsYiQadfQH
Name 3-Benzoyl-2,5-di-o-(p-toluenesulfonyl)galactosan
Comments Computed using HOSE algorithm
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Exact Mass 574.096739375 u
Formula C27H26O10S2
InChI InChI=1S/C27H26O10S2/c1-17-8-12-20(13-9-17)38(29,30)36-23-22-16-33-27(34-22)25(24(23)35-26(28)19-6-4-3-5-7-19)37-39(31,32)21-14-10-18(2)11-15-21/h3-15,22-25,27H,16H2,1-2H3
InChIKey SAXSVKZNIVCMTL-UHFFFAOYSA-N
Molecular Weight 574.615 g/mol
SMILES C1(C2OC(C(C1OC(C1=CC=CC=C1)=O)OS(=O)(=O)C1=CC=C(C=C1)C)OC2)OS(=O)(=O)C1=CC=C(C=C1)C