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Hexadecanoic acid, 2-[(trimethylsilyl)oxy]-1,3-propanediyl ester

View entire compound with spectra: 1 NMR, and 6 MS (GC)

Hexadecanoic acid, 2-[(trimethylsilyl)oxy]-1,3-propanediyl ester
SpectraBase Compound ID DXJsrCKSlHS
InChI InChI=1S/C38H76O5Si/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37(39)41-34-36(43-44(3,4)5)35-42-38(40)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36H,6-35H2,1-5H3
InChIKey IBCWULXGIBVHLB-UHFFFAOYSA-N
Mol Weight 641.1 g/mol
Molecular Formula C38H76O5Si
Exact Mass 640.546202 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ImMdpngP7r
Name 1,3-Dipalmitin, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 640.546202077 u
Formula C38H76O5Si
InChI InChI=1S/C38H76O5Si/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37(39)41-34-36(43-44(3,4)5)35-42-38(40)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36H,6-35H2,1-5H3
InChIKey IBCWULXGIBVHLB-UHFFFAOYSA-N
Molecular Weight 641.106 g/mol
SMILES C(COC(CCCCCCCCCCCCCCC)=O)(COC(CCCCCCCCCCCCCCC)=O)O[Si](C)(C)C