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Methyl beta-D-xylopyranoside

View entire compound with spectra: 11 NMR, 2 FTIR, and 1 Raman

Methyl beta-D-xylopyranoside
SpectraBase Compound ID J6242xnDdAd
InChI InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3/t3-,4+,5-,6-/m1/s1
InChIKey ZBDGHWFPLXXWRD-JGWLITMVSA-N
Mol Weight 164.16 g/mol
Molecular Formula C6H12O5
Exact Mass 164.068473 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID Ktq2qcoXHLM
Name Methyl-beta-D-xylopyranoside
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 164.068473481 u
Formula C6H12O5
InChI InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3/t3-,4+,5-,6-/m1/s1
InChIKey ZBDGHWFPLXXWRD-JGWLITMVSA-N
Molecular Weight 164.157 g/mol
SMILES [C@@]1(OC)([C@](O)([C@@](O)([C@](O)(CO1)[H])[H])[H])[H]
Spectrum/Structure Validation Score (Raman) 0.862317