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3,4,6-TRI-O-BENZYL-2-O-TRICHLOROACETYL-ALPHA-D-MANNOPYRANOSYLTHIOCYANATE
SpectraBase Compound ID 5XrloUpo6nR
InChI InChI=1S/C30H28Cl3NO6S/c31-30(32,33)29(35)40-27-26(38-18-23-14-8-3-9-15-23)25(37-17-22-12-6-2-7-13-22)24(39-28(27)41-20-34)19-36-16-21-10-4-1-5-11-21/h1-15,24-28H,16-19H2/t24-,25-,26+,27+,28-/m1/s1
InChIKey BHLHMXHQDGINTG-URYJJRPLSA-N
Mol Weight 636.97 g/mol
Molecular Formula C30H28Cl3NO6S
Exact Mass 635.070292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C9l9ziEFQvH
Name 3,4,6-TRI-O-BENZYL-2-O-TRICHLOROACETYL-ALPHA-D-MANNOPYRANOSYLTHIOCYANATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C30H28Cl3NO6S
InChI InChI=1S/C30H28Cl3NO6S/c31-30(32,33)29(35)40-27-26(38-18-23-14-8-3-9-15-23)25(37-17-22-12-6-2-7-13-22)24(39-28(27)41-20-34)19-36-16-21-10-4-1-5-11-21/h1-15,24-28H,16-19H2/t24-,25-,26+,27+,28-/m1/s1
InChIKey BHLHMXHQDGINTG-URYJJRPLSA-N
Instrument Name Bruker AM-300
Literature Reference N.K.KOCHETKOV, N.N.MALYSHEVA, A.V.DEMCHENKO, N.G.KOLOTYRKINA, E.M.KLIMOV (1991)Bioorganich.Khim.(Russ. Lang.): v.17, N12, 1655-1659.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3