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1,2-o-Isopropylidene-3-o-(p-phenylbenzyl)-.beta.-D-fructopyranose
SpectraBase Compound ID KyArWt7lnWY
InChI InChI=1S/C22H26O6/c1-21(2)27-14-22(28-21)20(19(24)18(23)13-26-22)25-12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,18-20,23-24H,12-14H2,1-2H3/t18-,19-,20+,22+/m1/s1
InChIKey PSNXCBZCCQRZAX-JBPLPALLSA-N
Mol Weight 386.44 g/mol
Molecular Formula C22H26O6
Exact Mass 386.172939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J2vWRkbqXDQ
Name 1,2-o-Isopropylidene-3-o-(p-phenylbenzyl)-.beta.-D-fructopyranose
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.172938551 u
Formula C22H26O6
InChI InChI=1S/C22H26O6/c1-21(2)27-14-22(28-21)20(19(24)18(23)13-26-22)25-12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,18-20,23-24H,12-14H2,1-2H3/t18-,19-,20+,22+/m1/s1
InChIKey PSNXCBZCCQRZAX-JBPLPALLSA-N
Molecular Weight 386.444 g/mol
SMILES [C@@]12([C@]([C@](O)([C@@](CO2)(O)[H])[H])(OCC=2C=CC(=CC2)C2=CC=CC=C2)[H])OC(C)(C)OC1