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(E)-5-((pentafluoro-.lambda.6-sulfaneyl)methylene)-7,7-diphenylhept-6-en-1-ol
SpectraBase Compound ID GHcGHeqqCGu
InChI InChI=1S/C20H21F5OS/c21-27(22,23,24,25)16-17(9-7-8-14-26)15-20(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-6,10-13,15-16,26H,7-9,14H2/b17-16+
InChIKey JLBBXJXYPRTRJM-WUKNDPDISA-N
Mol Weight 404.44 g/mol
Molecular Formula C20H21F5OS
Exact Mass 404.123327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FhM1gh3KS1j
Name (E)-5-((pentafluoro-.lambda.6-sulfaneyl)methylene)-7,7-diphenylhept-6-en-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.123327284 u
Formula C20H21F5OS
GC Column FactorFourTM VF-5 ms (30 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C20H21F5OS/c21-27(22,23,24,25)16-17(9-7-8-14-26)15-20(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-6,10-13,15-16,26H,7-9,14H2/b17-16+
InChIKey JLBBXJXYPRTRJM-WUKNDPDISA-N
Instrument Name Varian 431 GC-Varian 210 ion trap
Ionization Type EI
Literature Reference DOI 10.1002/chem.202100767
Molecular Weight 404.439 g/mol
Quality 346
SMILES OCCCC\C(C=C(C=1C=CC=CC1)C=1C=CC=CC1)=C/S(F)(F)(F)(F)F
SPLASH splash10-014i-0190000000-c703484430b16288824b
Source of Spectrum QE-27-SM102-27 (DOI: 10.1002/chem.202100767)
Wiley ID 1904062