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phytol, 1TMS
SpectraBase Compound ID 3I5J6vtz8Pg
InChI InChI=1S/C23H48OSi/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-23(5)18-19-24-25(6,7)8/h18,20-22H,9-17,19H2,1-8H3/b23-18-
InChIKey CKZQZHKPLHXPCT-NKFKGCMQSA-N
Mol Weight 368.7 g/mol
Molecular Formula C23H48OSi
Exact Mass 368.347443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID PTyQR5KzhS
Name phytol, 1TMS
Comments Derivatization type: 1 TMS (mass: 368.347); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib001053; Note: The molecular formula of the structure shown is C20H40O - which differs from the formula reported for the mass spectrum (C23H48OSi)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H48OSi
InChI InChI=1S/C23H48OSi/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-23(5)18-19-24-25(6,7)8/h18,20-22H,9-17,19H2,1-8H3/b23-18-
InChIKey CKZQZHKPLHXPCT-NKFKGCMQSA-N
Molecular Weight 368.721 g/mol
SMILES CC(C)CCCC(C)CCCC(C)CCC\C(C)=C/CO[Si](C)(C)C
SPLASH splash10-0006-1900000000-01862b5491ab0877bb97
Source of Spectrum FM-2019-1053-0
Synonyms Phytol, 1TMS (Z)-Phytol, 1TMS (Z)-3,7,11,15-tetramethylhexadec-2-en-1-ol, 1TMS (Z)-trimethyl((3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy)silane
Wiley ID 1818712