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

View entire compound with spectra: 1 NMR

2-Benzoyl-3,4-acetone-D-galactosan
SpectraBase Compound ID HDcFB9NrNgw
InChI InChI=1S/C16H18O6/c1-16(2)21-11-10-8-18-15(19-10)13(12(11)22-16)20-14(17)9-6-4-3-5-7-9/h3-7,10-13,15H,8H2,1-2H3/t10-,11+,12+,13-,15?/m1/s1
InChIKey XROOSVMIBOCEOO-JZQBXTLISA-N
Mol Weight 306.31 g/mol
Molecular Formula C16H18O6
Exact Mass 306.110338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IqTGFV3DZZ0
Name 2-Benzoyl-3,4-acetone-D-galactosan
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.110338294 u
Formula C16H18O6
InChI InChI=1S/C16H18O6/c1-16(2)21-11-10-8-18-15(19-10)13(12(11)22-16)20-14(17)9-6-4-3-5-7-9/h3-7,10-13,15H,8H2,1-2H3/t10-,11+,12+,13-,15?/m1/s1
InChIKey XROOSVMIBOCEOO-JZQBXTLISA-N
SMILES [C@]12([C@@]3(OC([C@@]([C@]2(OC(O1)(C)C)[H])(OC(C=1C=CC=CC1)=O)[H])OC3)[H])[H]