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N-TETRA-O-ACETYL-BETA-D-MANNOPYRANOSYL-3-PARA-CHLOROPHENYL-THIOCARBAMIDE
SpectraBase Compound ID F3IYBnLEaT0
InChI InChI=1S/C21H25ClN2O9S/c1-10(25)29-9-16-17(30-11(2)26)18(31-12(3)27)19(32-13(4)28)20(33-16)24-21(34)23-15-7-5-14(22)6-8-15/h5-8,16-20H,9H2,1-4H3,(H2,23,24,34)/t16-,17-,18+,19+,20-/m1/s1
InChIKey DRINWYXZGZZSPR-SWBPCFCJSA-N
Mol Weight 516.95 g/mol
Molecular Formula C21H25ClN2O9S
Exact Mass 516.096929 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BsJ5WAsNERg
Name N-TETRA-O-ACETYL-BETA-D-MANNOPYRANOSYL-3-PARA-CHLOROPHENYL-THIOCARBAMIDE
Compound Number 3H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25ClN2O9S
InChI InChI=1S/C21H25ClN2O9S/c1-10(25)29-9-16-17(30-11(2)26)18(31-12(3)27)19(32-13(4)28)20(33-16)24-21(34)23-15-7-5-14(22)6-8-15/h5-8,16-20H,9H2,1-4H3,(H2,23,24,34)/t16-,17-,18+,19+,20-/m1/s1
InChIKey DRINWYXZGZZSPR-SWBPCFCJSA-N
Literature Reference Author M.G.DHONDE,A.V.WANKHADE,S.P.DESHMUKH
Literature Reference Citation J.CHEM.PHARM.RES.,2,4,518(2010)
Molecular Weight 516.951 g/mol
Solvent CDCl3
Source File Reference UWIR14288