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3-Trimethylsilyloxyicosanoic acid (tms ester)

View entire compound with spectra: 1 NMR, and 2 MS (GC)

3-Trimethylsilyloxyicosanoic acid (tms ester)
SpectraBase Compound ID 5SkSLDQFbqC
InChI InChI=1S/C26H56O3Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(28-30(2,3)4)24-26(27)29-31(5,6)7/h25H,8-24H2,1-7H3
InChIKey VEKDAGJVSMSKBD-UHFFFAOYSA-N
Mol Weight 472.9 g/mol
Molecular Formula C26H56O3Si2
Exact Mass 472.376799 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1zIORVt6K6v
Name 3-Trimethylsilyloxyicosanoic acid (tms ester)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 472.376798730 u
Formula C26H56O3Si2
InChI InChI=1S/C26H56O3Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(28-30(2,3)4)24-26(27)29-31(5,6)7/h25H,8-24H2,1-7H3
InChIKey VEKDAGJVSMSKBD-UHFFFAOYSA-N
Molecular Weight 472.901 g/mol
SMILES C(CCCCCCCCCCCCCCC(CC(O[Si](C)(C)C)=O)O[Si](C)(C)C)CC