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Heptadecanoic acid trimethylsilyl ester
SpectraBase Compound ID Gq8SLfXnSC9
InChI InChI=1S/C20H42O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-23(2,3)4/h5-19H2,1-4H3
InChIKey KCEZRIREPDDPDI-UHFFFAOYSA-N
Mol Weight 342.6 g/mol
Molecular Formula C20H42O2Si
Exact Mass 342.295407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D7G1m43nX5e
Name Heptadecanoic acid, 1TMS
Comments Derivatization type: 1 TMS (mass: 342.295); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000242; Note: The molecular formula of the structure shown is C17H34O2 - which differs from the formula reported for the mass spectrum (C20H42O2Si)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H42O2Si
InChI InChI=1S/C20H42O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-23(2,3)4/h5-19H2,1-4H3
InChIKey KCEZRIREPDDPDI-UHFFFAOYSA-N
Molecular Weight 342.639 g/mol
SMILES CCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
SPLASH splash10-016r-0900000000-d40bfe3213f7d2b26e49
Source of Spectrum FM-2019-242-0
Synonyms Margaric acid, 1TMS Margarinic acid, 1TMS n-Heptadecanoic acid, 1TMS HEPTADECANOIC ACID, 1TMS n-Heptadecoic acid, 1TMS Margarinsaeure, 1TMS Trimethylsilyl heptadecanoate
Wiley ID 1817931