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cis-phytol, 1TMS
SpectraBase Compound ID CYkTYWFtPhg
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-/t21-,22-/m1/s1
InChIKey CKZQZHKPLHXPCT-MNLAULSRSA-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 66h6FZOTNG0
Name cis-phytol, 1TMS
Comments Derivatization type: 1 TMS (mass: 368.347); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib001054; 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-/t21-,22-/m1/s1
InChIKey CKZQZHKPLHXPCT-MNLAULSRSA-N
Molecular Weight 368.721 g/mol
SMILES CC(C)CCC[C@@](C)(CCC[C@@](C)(CCC\C(C)=C/CO[Si](C)(C)C)[H])[H]
SPLASH splash10-0006-1900000000-8577f64e2b6c8b726665
Source of Spectrum FM-2019-1054-0
Synonyms cis-Phytol, 1TMS (Z)-Phytol, 1TMS AIDS058770, 1TMS AIDS-058770, 1TMS (7R,11R)(2Z)-3,7,11,15-tetramethylhexadec-2-en-1-ol, 1TMS (Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol, 1TMS Trimethyl(((7R,11R,Z)-3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy)silane
Wiley ID 1818713