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2-Benzoyl-3,4-diacetyl-D-galactosan

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

2-Benzoyl-3,4-diacetyl-D-galactosan
SpectraBase Compound ID 2W6TYI0Uw9Z
InChI InChI=1S/C17H18O8/c1-9(18)22-13-12-8-21-17(24-12)15(14(13)23-10(2)19)25-16(20)11-6-4-3-5-7-11/h3-7,12-15,17H,8H2,1-2H3/t12-,13+,14+,15-,17?/m1/s1
InChIKey OQBWCCZDDTXQMZ-CTPYKZEGSA-N
Mol Weight 350.32 g/mol
Molecular Formula C17H18O8
Exact Mass 350.100168 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7qc8sD4imyU
Name 2-Benzoyl-3,4-diacetyl-D-galactosan
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.100167532 u
Formula C17H18O8
InChI InChI=1S/C17H18O8/c1-9(18)22-13-12-8-21-17(24-12)15(14(13)23-10(2)19)25-16(20)11-6-4-3-5-7-11/h3-7,12-15,17H,8H2,1-2H3/t12-,13+,14+,15-,17?/m1/s1
InChIKey OQBWCCZDDTXQMZ-CTPYKZEGSA-N
Molecular Weight 350.323 g/mol
SMILES [C@]1([C@@]2(OC([C@@]([C@]1(OC(=O)C)[H])(OC(=O)C=1C=CC=CC1)[H])OC2)[H])(OC(C)=O)[H]