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dl-3-o-Ethyl-2,6-di-o-benzyl-myo-inositol

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

dl-3-o-Ethyl-2,6-di-o-benzyl-myo-inositol
SpectraBase Compound ID I3Fwr158knQ
InChI InChI=1S/C22H28O6/c1-2-26-21-18(24)17(23)20(27-13-15-9-5-3-6-10-15)19(25)22(21)28-14-16-11-7-4-8-12-16/h3-12,17-25H,2,13-14H2,1H3/t17-,18-,19-,20+,21+,22-/m1/s1
InChIKey JDHAITHRPMURBS-YGBDOONVSA-N
Mol Weight 388.46 g/mol
Molecular Formula C22H28O6
Exact Mass 388.188589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FGulM3rVPxq
Name dl-3-o-Ethyl-2,6-di-o-benzyl-myo-inositol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.188588616 u
Formula C22H28O6
InChI InChI=1S/C22H28O6/c1-2-26-21-18(24)17(23)20(27-13-15-9-5-3-6-10-15)19(25)22(21)28-14-16-11-7-4-8-12-16/h3-12,17-25H,2,13-14H2,1H3/t17-,18-,19-,20+,21+,22-/m1/s1
InChIKey JDHAITHRPMURBS-YGBDOONVSA-N
Molecular Weight 388.460 g/mol
SMILES [C@@]1([C@]([C@@](OCC=2C=CC=CC2)([C@]([C@@]([C@]1(O)[H])(O)[H])(OCC)[H])[H])(O)[H])(OCC1=CC=CC=C1)[H]