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3,6,9,12,15,18,21,24,27-Nonaoxaoctacosanoic acid, tbdms derivative

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3,6,9,12,15,18,21,24,27-Nonaoxaoctacosanoic acid, tbdms derivative
SpectraBase Compound ID HxitzWA9812
InChI InChI=1S/C25H52O11Si/c1-25(2,3)37(5,6)36-24(26)23-35-22-21-34-20-19-33-18-17-32-16-15-31-14-13-30-12-11-29-10-9-28-8-7-27-4/h7-23H2,1-6H3
InChIKey ANMCWTQOUOCFOC-UHFFFAOYSA-N
Mol Weight 556.8 g/mol
Molecular Formula C25H52O11Si
Exact Mass 556.327889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EZmdId4ntEI
Name 3,6,9,12,15,18,21,24,27-Nonaoxaoctacosanoic acid, tbdms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 556.327889018 u
Formula C25H52O11Si
InChI InChI=1S/C25H52O11Si/c1-25(2,3)37(5,6)36-24(26)23-35-22-21-34-20-19-33-18-17-32-16-15-31-14-13-30-12-11-29-10-9-28-8-7-27-4/h7-23H2,1-6H3
InChIKey ANMCWTQOUOCFOC-UHFFFAOYSA-N
Molecular Weight 556.765 g/mol
SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCC(O[Si](C)(C(C)(C)C)C)=O