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Octadecanoic acid, 2,3-bis[(trimethylsilyl)oxy]propyl ester
SpectraBase Compound ID CvCM38birQQ
InChI InChI=1S/C27H58O4Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(28)29-24-26(31-33(5,6)7)25-30-32(2,3)4/h26H,8-25H2,1-7H3
InChIKey DPQSOLLSNCYGEP-UHFFFAOYSA-N
Mol Weight 502.9 g/mol
Molecular Formula C27H58O4Si2
Exact Mass 502.387363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LAEzywMfzs
Name 1-monostearin, 2TMS
Alternate Name(s) Tegin, 2TMS Monostearin, 2TMS Stearin, 1-mono-, 2TMS alpha-Monostearin, 2TMS Dermagine, 2TMS Distearin, 2TMS 2,3-Dihydroxypropyl octadecanoate, 2TMS 2,3-bis((trimethylsilyl)oxy)propyl stearate
Comments Derivatization type: 2 TMS (mass: 502.387); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib001100; Note: The molecular formula of the structure shown is C21H42O4 - which differs from the formula reported for the mass spectrum (C27H58O4Si2)
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Formula C27H58O4Si2
InChI InChI=1S/C27H58O4Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(28)29-24-26(31-33(5,6)7)25-30-32(2,3)4/h26H,8-25H2,1-7H3
InChIKey DPQSOLLSNCYGEP-UHFFFAOYSA-N
Molecular Weight 502.927 g/mol
SMILES CCCCCCCCCCCCCCCCCC(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C
SPLASH splash10-0f6t-2910000000-fd263ce4668299b63215
Source of Spectrum FM-2019-1100-0
Wiley ID 1818758