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[o-(Methylthio)phenyl] beta-D-glucopyranoside

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

[o-(Methylthio)phenyl] beta-D-glucopyranoside
SpectraBase Compound ID HCM9JTaHISu
InChI InChI=1S/C13H18O6S/c1-20-9-5-3-2-4-7(9)18-13-12(17)11(16)10(15)8(6-14)19-13/h2-5,8,10-17H,6H2,1H3/t8-,10-,11+,12-,13-/m1/s1
InChIKey IUZSZROFVUTDIU-KABOQKQYSA-N
Mol Weight 302.34 g/mol
Molecular Formula C13H18O6S
Exact Mass 302.082409 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID AR11zCLcLWg
Name [o-(Methylthio)phenyl] beta-D-glucopyranoside
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.082409468 u
Formula C13H18O6S
InChI InChI=1S/C13H18O6S/c1-20-9-5-3-2-4-7(9)18-13-12(17)11(16)10(15)8(6-14)19-13/h2-5,8,10-17H,6H2,1H3/t8-,10-,11+,12-,13-/m1/s1
InChIKey IUZSZROFVUTDIU-KABOQKQYSA-N
SMILES OC[C@]1(O[C@]([C@@]([C@]([C@@]1(O)[H])(O)[H])(O)[H])(OC=1C(=CC=CC1)SC)[H])[H]
Spectrum/Structure Validation Score (Raman) 0.932904