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myo-Inositol 3,4,5,6-tetraacetate, 2tms derivative

View entire compound with spectra: 1 NMR

myo-Inositol 3,4,5,6-tetraacetate, 2tms derivative
SpectraBase Compound ID 7SyEA7uNvQS
InChI InChI=1S/C20H36O10Si2/c1-11(21)25-15-16(26-12(2)22)18(28-14(4)24)20(30-32(8,9)10)19(29-31(5,6)7)17(15)27-13(3)23/h15-20H,1-10H3
InChIKey TWBFNTKPCXVFQB-UHFFFAOYSA-N
Mol Weight 492.7 g/mol
Molecular Formula C20H36O10Si2
Exact Mass 492.1847 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6G0lHwbdMoK
Name myo-Inositol 3,4,5,6-tetraacetate, 2tms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.184700419 u
Formula C20H36O10Si2
InChI InChI=1S/C20H36O10Si2/c1-11(21)25-15-16(26-12(2)22)18(28-14(4)24)20(30-32(8,9)10)19(29-31(5,6)7)17(15)27-13(3)23/h15-20H,1-10H3
InChIKey TWBFNTKPCXVFQB-UHFFFAOYSA-N
Molecular Weight 492.668 g/mol
SMILES C1(C(C(C(C(C1O[Si](C)(C)C)O[Si](C)(C)C)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O