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beta-D-glucopyranoside, 5-[[4-(1,1-dimethylethyl)phenoxy]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl 2-(acetylamino)-2-deoxy-1-thio-, 3,4,6-triacetate

View entire compound with spectra: 1 NMR

beta-D-glucopyranoside, 5-[[4-(1,1-dimethylethyl)phenoxy]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl 2-(acetylamino)-2-deoxy-1-thio-, 3,4,6-triacetate
SpectraBase Compound ID EZgfo7h4kba
InChI InChI=1S/C33H40N4O9S/c1-19(38)34-28-30(45-22(4)41)29(44-21(3)40)26(17-42-20(2)39)46-31(28)47-32-36-35-27(37(32)24-11-9-8-10-12-24)18-43-25-15-13-23(14-16-25)33(5,6)7/h8-16,26,28-31H,17-18H2,1-7H3,(H,34,38)
InChIKey BYJOESPFYGWQPX-UHFFFAOYSA-N
Mol Weight 668.8 g/mol
Molecular Formula C33H40N4O9S
Exact Mass 668.2516 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7c0zXxVhLoz
Name beta-D-glucopyranoside, 5-[[4-(1,1-dimethylethyl)phenoxy]methyl]-4-phenyl-4H-1,2,4-triazol-3-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/C33H40N4O9S/c1-19(38)34-28-30(45-22(4)41)29(44-21(3)40)26(17-42-20(2)39)46-31(28)47-32-36-35-27(37(32)24-11-9-8-10-12-24)18-43-25-15-13-23(14-16-25)33(5,6)7/h8-16,26,28-31H,17-18H2,1-7H3,(H,34,38)
InChIKey BYJOESPFYGWQPX-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_9510
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: F35762; Labnumber: KUR-N0438-0035