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Ethyl tetrabenzyl-1-thio-.beta.-D-glucoside

View entire compound with spectra: 1 NMR, and 1 FTIR

Ethyl tetrabenzyl-1-thio-.beta.-D-glucoside
SpectraBase Compound ID deMtoGoiFi
InChI InChI=1S/C36H40O5S/c1-2-42-36-35(40-26-31-21-13-6-14-22-31)34(39-25-30-19-11-5-12-20-30)33(38-24-29-17-9-4-10-18-29)32(41-36)27-37-23-28-15-7-3-8-16-28/h3-22,32-36H,2,23-27H2,1H3/t32-,33+,34-,35-,36-/m0/s1
InChIKey NRALMNQUAKWSMF-YNOSRJHOSA-N
Mol Weight 584.8 g/mol
Molecular Formula C36H40O5S
Exact Mass 584.259646 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ID0vHLIDxCF
Name Ethyl tetrabenzyl-1-thio-.beta.-D-glucoside
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 584.259645557 u
Formula C36H40O5S
InChI InChI=1S/C36H40O5S/c1-2-42-36-35(40-26-31-21-13-6-14-22-31)34(39-25-30-19-11-5-12-20-30)33(38-24-29-17-9-4-10-18-29)32(41-36)27-37-23-28-15-7-3-8-16-28/h3-22,32-36H,2,23-27H2,1H3/t32-,33+,34-,35-,36-/m0/s1
InChIKey NRALMNQUAKWSMF-YNOSRJHOSA-N
Molecular Weight 584.771 g/mol
SMILES [C@@]1([C@@](O[C@]([C@]([C@]1(OCC1=CC=CC=C1)[H])(OCC1=CC=CC=C1)[H])(SCC)[H])(COCC1=CC=CC=C1)[H])(OCC1=CC=CC=C1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940737