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

View entire compound with spectra: 1 NMR

4-Benzoyl-2,3-acetone-D-mannosan
SpectraBase Compound ID Ex2cX78azCx
InChI InChI=1S/C16H18O6/c1-16(2)21-12-11(10-8-18-15(19-10)13(12)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 QXMGRRWJCFNPCT-NFXCRTCFSA-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 5SMHqDK0eZQ
Name 4-Benzoyl-2,3-acetone-D-mannosan
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)21-12-11(10-8-18-15(19-10)13(12)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 QXMGRRWJCFNPCT-NFXCRTCFSA-N
SMILES [C@@]1([C@@]2(OC([C@@]3([C@]1(OC(O3)(C)C)[H])[H])OC2)[H])(OC(=O)C1=CC=CC=C1)[H]