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2,6,10,14-Hexadecatetraen-1-ol, 2,6,10,14-tetramethyl-16-(phenylthio)-, acetate, (all-E)-
SpectraBase Compound ID BVLLwIdQwNl
InChI InChI=1S/C28H40O2S/c1-23(12-9-13-24(2)15-11-17-26(4)22-30-27(5)29)14-10-16-25(3)20-21-31-28-18-7-6-8-19-28/h6-8,13-14,17-20H,9-12,15-16,21-22H2,1-5H3/b23-14+,24-13+,25-20+,26-17+
InChIKey SIUOEWNGRYUWDI-ZKACEMQXSA-N
Mol Weight 440.7 g/mol
Molecular Formula C28H40O2S
Exact Mass 440.274902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQZGUTCkrX0
Name 2,6,10,14-Hexadecatetraen-1-ol, 2,6,10,14-tetramethyl-16-(phenylthio)-, acetate, (all-E)-
CAS Registry Number 132274-01-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H40O2S
InChI InChI=1S/C28H40O2S/c1-23(12-9-13-24(2)15-11-17-26(4)22-30-27(5)29)14-10-16-25(3)20-21-31-28-18-7-6-8-19-28/h6-8,13-14,17-20H,9-12,15-16,21-22H2,1-5H3/b23-14+,24-13+,25-20+,26-17+
InChIKey SIUOEWNGRYUWDI-ZKACEMQXSA-N
Molecular Weight 440.686 g/mol
SMILES C(=O)(OC\C(=C\CC\C(=C\CC\C(=C\CC\C(=C\CSc1ccccc1)C)C)C)C)C
SPLASH splash10-00kf-9400000000-e6512fda8607753a70e7
Source of Spectrum H-73-1983-10
Synonyms (2E,6E,10E,14E)-2,6,10,14-tetramethyl-16-(phenylsulfanyl)-2,6,10,14-hexadecatetraenyl acetate [(all-E)-2,6,10,14-tetramethyl-16-(phenylthio)hexadeca-2,6,10,14-tetraen-1-yl]-acetate
Wiley ID 1384836