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2,3,4,6-Tetra-O-benzoyl-beta-D-glucopyranosyl isothiocyanate
SpectraBase Compound ID FmLkiBdZ3ap
InChI InChI=1S/C35H27NO9S/c37-32(23-13-5-1-6-14-23)41-21-27-28(43-33(38)24-15-7-2-8-16-24)29(44-34(39)25-17-9-3-10-18-25)30(31(42-27)36-22-46)45-35(40)26-19-11-4-12-20-26/h1-20,27-31H,21H2/t27?,28-,29?,30?,31+/m0/s1
InChIKey RITGYQZMPNVVEG-LRRYJOBMSA-N
Mol Weight 637.7 g/mol
Molecular Formula C35H27NO9S
Exact Mass 637.140653 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KpUyMSYLTmd
Name 2,3,4,6-Tetra-O-benzoyl-beta-D-glucopyranosyl isothiocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 335622
CAS Registry Number 132413-50-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H27NO9S
InChI InChI=1S/C35H27NO9S/c37-32(23-13-5-1-6-14-23)41-21-27-28(43-33(38)24-15-7-2-8-16-24)29(44-34(39)25-17-9-3-10-18-25)30(31(42-27)36-22-46)45-35(40)26-19-11-4-12-20-26/h1-20,27-31H,21H2/t27?,28-,29?,30?,31+/m0/s1
InChIKey RITGYQZMPNVVEG-LRRYJOBMSA-N
Observed nucleus 1H
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms BGITC
Wiley ID SIAL_1HNMR_006776