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METHYL-2,3,4-TRI-O-BENZOYL-6-DEOXY-6-ISOTHIOCYANATO-ALPHA-D-MANNOPYRANOSIDE
SpectraBase Compound ID KOT6bKZ8BPK
InChI InChI=1S/C29H25NO8S/c1-34-29-25(38-28(33)21-15-9-4-10-16-21)24(37-27(32)20-13-7-3-8-14-20)23(22(35-29)17-30-18-39)36-26(31)19-11-5-2-6-12-19/h2-16,22-25,29H,17H2,1H3/t22-,23-,24+,25+,29+/m0/s1
InChIKey ILDHWLQNZIHKJQ-JIZUJLEQSA-N
Mol Weight 547.58 g/mol
Molecular Formula C29H25NO8S
Exact Mass 547.130088 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ato6bDmbfvR
Name METHYL-2,3,4-TRI-O-BENZOYL-6-DEOXY-6-ISOTHIOCYANATO-ALPHA-D-MANNOPYRANOSIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H25NO8S
InChI InChI=1S/C29H25NO8S/c1-34-29-25(38-28(33)21-15-9-4-10-16-21)24(37-27(32)20-13-7-3-8-14-20)23(22(35-29)17-30-18-39)36-26(31)19-11-5-2-6-12-19/h2-16,22-25,29H,17H2,1H3/t22-,23-,24+,25+,29+/m0/s1
InChIKey ILDHWLQNZIHKJQ-JIZUJLEQSA-N
Literature Reference Author S.KOETTER,U.KRALLMANN-WENZEL,S.EHLERS,T.K.LINDHORST
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2193(1998)
Literature Reference DOI 10.1039/a801985a
Molecular Weight 547.579 g/mol
Solvent CDCl3
Source File Reference UWPA509