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Hexadecanoic acid, 2-hexyl-3,5-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester, [2S-(2R*,3R*,5R*)]-
SpectraBase Compound ID GYgDVLQ6x2o
InChI InChI=1S/C31H68O4Si3/c1-12-14-16-18-19-20-21-22-23-25-28(33-36(3,4)5)27-30(34-37(6,7)8)29(26-24-17-15-13-2)31(32)35-38(9,10)11/h28-30H,12-27H2,1-11H3/t28-,29-,30-/m0/s1
InChIKey UQQFBWCZBIBUKM-DTXPUJKBSA-N
Mol Weight 589.1 g/mol
Molecular Formula C31H68O4Si3
Exact Mass 588.44254 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6HpQZMdbYxK
Name Hexadecanoic acid, 2-hexyl-3,5-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester, [2S-(2R*,3R*,5R*)]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 588.442540271 u
Formula C31H68O4Si3
InChI InChI=1S/C31H68O4Si3/c1-12-14-16-18-19-20-21-22-23-25-28(33-36(3,4)5)27-30(34-37(6,7)8)29(26-24-17-15-13-2)31(32)35-38(9,10)11/h28-30H,12-27H2,1-11H3/t28-,29-,30-/m0/s1
InChIKey UQQFBWCZBIBUKM-DTXPUJKBSA-N
Molecular Weight 589.136 g/mol
SMILES C([C@]([C@](C[C@@](O[Si](C)(C)C)(CCCCCCCCCCC)[H])(O[Si](C)(C)C)[H])(CCCCCC)[H])(O[Si](C)(C)C)=O