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1,2:5,6-di-o-Isopropylidene-L-chiro-inositol

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

1,2:5,6-di-o-Isopropylidene-L-chiro-inositol
SpectraBase Compound ID LBAYETLbEBq
InChI InChI=1S/C12H20O6/c1-11(2)15-7-5(13)6(14)8-10(9(7)17-11)18-12(3,4)16-8/h5-10,13-14H,1-4H3/t5-,6-,7+,8+,9+,10+/m1/s1
InChIKey ZQZGHZYIHMUHSI-GWRHWDGRSA-N
Mol Weight 260.29 g/mol
Molecular Formula C12H20O6
Exact Mass 260.125988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5QqEXqPgO3y
Name 1,2:5,6-di-o-Isopropylidene-L-chiro-inositol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.125988358 u
Formula C12H20O6
InChI InChI=1S/C12H20O6/c1-11(2)15-7-5(13)6(14)8-10(9(7)17-11)18-12(3,4)16-8/h5-10,13-14H,1-4H3/t5-,6-,7+,8+,9+,10+/m1/s1
InChIKey ZQZGHZYIHMUHSI-GWRHWDGRSA-N
Molecular Weight 260.286 g/mol
SMILES [C@]12([C@@]3([C@@](OC(O3)(C)C)([C@@]([C@]([C@@]1(OC(O2)(C)C)[H])(O)[H])(O)[H])[H])[H])[H]