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beta-D-glucopyranoside, 1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-yl 2-(acetylamino)-2-deoxy-1-thio-, 3,4,6-triacetate

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beta-D-glucopyranoside, 1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-yl 2-(acetylamino)-2-deoxy-1-thio-, 3,4,6-triacetate
SpectraBase Compound ID 8ghbH4SVGQZ
InChI InChI=1S/C28H30ClN3O8S/c1-15(33)30-24-26(39-18(4)36)25(38-17(3)35)23(14-37-16(2)34)40-27(24)41-28-31-21-7-5-6-8-22(21)32(28)13-19-9-11-20(29)12-10-19/h5-12,23-27H,13-14H2,1-4H3,(H,30,33)
InChIKey QLRNPLXNBHUTBN-UHFFFAOYSA-N
Mol Weight 604.07 g/mol
Molecular Formula C28H30ClN3O8S
Exact Mass 603.144214 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JFKcWom3pkS
Name beta-D-glucopyranoside, 1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-yl 2-(acetylamino)-2-deoxy-1-thio-, 3,4,6-triacetate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C28H30ClN3O8S/c1-15(33)30-24-26(39-18(4)36)25(38-17(3)35)23(14-37-16(2)34)40-27(24)41-28-31-21-7-5-6-8-22(21)32(28)13-19-9-11-20(29)12-10-19/h5-12,23-27H,13-14H2,1-4H3,(H,30,33)
InChIKey QLRNPLXNBHUTBN-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_9509
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: F35756; Labnumber: KUR-N0342-0041