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(Methyl 4-O-benzyl-3-deoxy-7,8-isopropylidene-2-thio-B-D-manno-octulopyranosid)onic acid, ethyl ester
SpectraBase Compound ID JXYay73S3Nw
InChI InChI=1S/C21H30O7S/c1-5-24-19(23)21(29-4)11-15(25-12-14-9-7-6-8-10-14)17(22)18(28-21)16-13-26-20(2,3)27-16/h6-10,15-18,22H,5,11-13H2,1-4H3
InChIKey NAWDJJIUXUQKCY-UHFFFAOYSA-N
Mol Weight 426.52 g/mol
Molecular Formula C21H30O7S
Exact Mass 426.171224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F6mwhdJnk3a
Name (Methyl 4-O-benzyl-3-deoxy-7,8-isopropylidene-2-thio-B-D-manno-octulopyranosid)onic acid, ethyl ester
Comments AROMATIC CH SIGNALS AT 128.3 TO 127.6 PPM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H30O7S
InChI InChI=1S/C21H30O7S/c1-5-24-19(23)21(29-4)11-15(25-12-14-9-7-6-8-10-14)17(22)18(28-21)16-13-26-20(2,3)27-16/h6-10,15-18,22H,5,11-13H2,1-4H3
InChIKey NAWDJJIUXUQKCY-UHFFFAOYSA-N
Instrument Name Jeol FX-200
Literature Reference G.J. Boons, F.L. Van Delft, P.A. Van Der Klein, Tetrahedron 48, 885 (1992).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3