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Docosanoic acid trimethylsilyl ester
SpectraBase Compound ID ACC7pzEhPJl
InChI InChI=1S/C25H52O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-28(2,3)4/h5-24H2,1-4H3
InChIKey BJBBFOVJCKMBAL-UHFFFAOYSA-N
Mol Weight 412.8 g/mol
Molecular Formula C25H52O2Si
Exact Mass 412.373657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 70EA0l5dnuk
Name behenic acid, 1TMS
Alternate Name(s) Docosanoic acid, 1TMS Behenic acid, 1TMS Docosoic acid, 1TMS Docosansaeure, 1TMS Dokosansaeure, 1TMS Behensaeure, 1TMS Docosanoic acid, 1TMS Trimethylsilyl docosanoate
Comments Derivatization type: 1 TMS (mass: 412.374); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000582; Note: The molecular formula of the structure shown is C22H44O2 - which differs from the formula reported for the mass spectrum (C25H52O2Si)
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Formula C25H52O2Si
InChI InChI=1S/C25H52O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-28(2,3)4/h5-24H2,1-4H3
InChIKey BJBBFOVJCKMBAL-UHFFFAOYSA-N
Molecular Weight 412.774 g/mol
SMILES CCCCCCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
SPLASH splash10-0159-1900000000-dc36072a48394dff7152
Source of Spectrum FM-2019-582-0
Wiley ID 1818263