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4-ISOTHIOCYANATOBENZYL-2,3,4,6-TETRA-O-ACETYL-MANNOPYRANOSIDE
SpectraBase Compound ID HYZaSMkWYfY
InChI InChI=1S/C22H25NO10S/c1-12(24)28-10-18-19(30-13(2)25)20(31-14(3)26)21(32-15(4)27)22(33-18)29-9-16-5-7-17(8-6-16)23-11-34/h5-8,18-22H,9-10H2,1-4H3/t18-,19-,20+,21+,22+/m0/s1
InChIKey PBPHRIDXWCHQDQ-VNXMGFANSA-N
Mol Weight 495.5 g/mol
Molecular Formula C22H25NO10S
Exact Mass 495.119917 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IeGonEMIjUS
Name 4-ISOTHIOCYANATOBENZYL-2,3,4,6-TETRA-O-ACETYL-MANNOPYRANOSIDE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H25NO10S
InChI InChI=1S/C22H25NO10S/c1-12(24)28-10-18-19(30-13(2)25)20(31-14(3)26)21(32-15(4)27)22(33-18)29-9-16-5-7-17(8-6-16)23-11-34/h5-8,18-22H,9-10H2,1-4H3/t18-,19-,20+,21+,22+/m0/s1
InChIKey PBPHRIDXWCHQDQ-VNXMGFANSA-N
Literature Reference Author M.WALTER,T.K.LINDHORST
Literature Reference Citation MH.CHEM.,133,473(2002)
Literature Reference DOI 10.1007/s007060200022
Molecular Weight 495.501 g/mol
Solvent CDCl3
Source File Reference UWKP11534