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1-DEOXY-1-[3-(O-TOLYL)-2-THIOUREIDO]-B-D-GLUCOPYRANOSE 2,3,4,6-
SpectraBase Compound ID 8z2HxLgh6Zf
InChI InChI=1S/C22H28N2O9S/c1-11-8-6-7-9-16(11)23-22(34)24-21-20(32-15(5)28)19(31-14(4)27)18(30-13(3)26)17(33-21)10-29-12(2)25/h6-9,17-21H,10H2,1-5H3,(H2,23,24,34)
InChIKey HAQKHPVIJSQRBS-UHFFFAOYSA-N
Mol Weight 496.53 g/mol
Molecular Formula C22H28N2O9S
Exact Mass 496.151552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zEr83PIZk6
Name 1-DEOXY-1-[3-(O-TOLYL)-2-THIOUREIDO]-B-D-GLUCOPYRANOSE 2,3,4,6-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H28N2O9S
InChI InChI=1S/C22H28N2O9S/c1-11-8-6-7-9-16(11)23-22(34)24-21-20(32-15(5)28)19(31-14(4)27)18(30-13(3)26)17(33-21)10-29-12(2)25/h6-9,17-21H,10H2,1-5H3,(H2,23,24,34)
InChIKey HAQKHPVIJSQRBS-UHFFFAOYSA-N
Molecular Weight 496.1508
SMILES N(C(=S)Nc1c(C)cccc1)C1C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C(COC(=O)C)O1
SPLASH splash10-0006-9400000000-c265020321262a2c1874
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany