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4-METHYLUMBELLIFERYL-2-DEOXY-2-THIOACETAMIDO-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 6G4JjnTrUya
InChI InChI=1S/C18H21NO7S/c1-8-5-14(21)25-12-6-10(3-4-11(8)12)24-18-15(19-9(2)27)17(23)16(22)13(7-20)26-18/h3-6,13,15-18,20,22-23H,7H2,1-2H3,(H,19,27)/t13-,15-,16-,17-,18-/m1/s1
InChIKey ZDAVWYMHGAWTAW-JVNHZCFISA-N
Mol Weight 395.43 g/mol
Molecular Formula C18H21NO7S
Exact Mass 395.103873 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8l72R2xxumb
Name 4-METHYLUMBELLIFERYL-2-DEOXY-2-THIOACETAMIDO-BETA-D-GLUCOPYRANOSIDE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H21NO7S
InChI InChI=1S/C18H21NO7S/c1-8-5-14(21)25-12-6-10(3-4-11(8)12)24-18-15(19-9(2)27)17(23)16(22)13(7-20)26-18/h3-6,13,15-18,20,22-23H,7H2,1-2H3,(H,19,27)/t13-,15-,16-,17-,18-/m1/s1
InChIKey ZDAVWYMHGAWTAW-JVNHZCFISA-N
Literature Reference Author S.KNAPP,D.VOCADLO,Z.GAO,B.KIRK,J.LOU,S.G.WITHERS
Literature Reference Citation J.AM.CHEM.SOC.,118,6804(1996)
Literature Reference DOI 10.1021/ja960826u
Molecular Weight 395.427 g/mol
Sample ID 36058
Solvent DMSO-D6