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beta-D-glucopyranoside, 5-[(3-methylphenoxy)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: 2 NMR

beta-D-glucopyranoside, 5-[(3-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl 2-(acetylamino)-2-deoxy-1-thio-, 3,4,6-triacetate
SpectraBase Compound ID HadwN23jULJ
InChI InChI=1S/C30H34N4O9S/c1-17-10-9-13-23(14-17)40-16-25-32-33-30(34(25)22-11-7-6-8-12-22)44-29-26(31-18(2)35)28(42-21(5)38)27(41-20(4)37)24(43-29)15-39-19(3)36/h6-14,24,26-29H,15-16H2,1-5H3,(H,31,35)
InChIKey RMUTZVWIWLMGGQ-UHFFFAOYSA-N
Mol Weight 626.7 g/mol
Molecular Formula C30H34N4O9S
Exact Mass 626.20465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FxSpu33TXvc
Name beta-D-Glucopyranoside, 5-[(3-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl 2-(acetylamino)-2-deoxy-1-thio-, 3,4,6-triacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 626.204649856 u
Formula C30H34N4O9S
InChI InChI=1S/C30H34N4O9S/c1-17-10-9-13-23(14-17)40-16-25-32-33-30(34(25)22-11-7-6-8-12-22)44-29-26(31-18(2)35)28(42-21(5)38)27(41-20(4)37)24(43-29)15-39-19(3)36/h6-14,24,26-29H,15-16H2,1-5H3,(H,31,35)
InChIKey RMUTZVWIWLMGGQ-UHFFFAOYSA-N
Molecular Weight 626.681 g/mol
SMILES N(C1C(SC=2N(C(COC3=CC(C)=CC=C3)=NN2)C=2C=CC=CC2)OC(C(OC(=O)C)C1OC(=O)C)COC(=O)C)C(=O)C