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Methyl ß-D-glucopyranoside hemihydrate

View entire compound with spectra: 2 NMR, and 2 FTIR

Methyl ß-D-glucopyranoside hemihydrate
SpectraBase Compound ID GoZ9V20EUq1
InChI InChI=1S/2C7H14O6.H2O/c2*1-12-7-6(11)5(10)4(9)3(2-8)13-7;/h2*3-11H,2H2,1H3;1H2/t2*3-,4-,5+,6-,7-;/m11./s1
InChIKey CTOZFQQBPKUGJI-LOEDHUTHSA-N
Mol Weight 404.36 g/mol
Molecular Formula C14H28O13
Exact Mass 404.152991 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8QE9uhgBHmD
Name Methyl-beta-D-glucopyranoside hemihydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 292680
CAS Registry Number 7000-27-3
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H28O13
InChI 1S/2C7H14O6.H2O/c2*1-12-7-6(11)5(10)4(9)3(2-8)13-7;/h2*3-11H,2H2,1H3;1H2/t2*3-,4-,5+,6-,7-;/m11./s1
InChIKey CTOZFQQBPKUGJI-LOEDHUTHSA-N
Observed nucleus 13C
Purity 99%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms beta-Methyl-D-glucoside, Methyl beta-D-glucopyranoside
Wiley ID SIAL_13CNMR_005649