1-[(trifluoromethyl)thio]octadecane

SpectraBase Compound ID	Dofuolmhx4k
InChI	InChI=1S/C19H37F3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19(20,21)22/h2-18H2,1H3
InChIKey	VHLJYCOUOGMKRR-UHFFFAOYSA-N Google Search
Mol Weight	354.6 g/mol
Molecular Formula	C19H37F3S
Exact Mass	354.256807 g/mol

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SpectraBase Spectrum ID	3EvDnYvvb2a
Name	1-[(trifluoromethyl)thio]octadecane
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	354.256806854 u
Formula	C19H37F3S
GC Column	HP-5 (30 m x 320 mm, film thickness 0.25 micrometer)
GC Oven Program	Oven temp 300oC
InChI	InChI=1S/C19H37F3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19(20,21)22/h2-18H2,1H3
InChIKey	VHLJYCOUOGMKRR-UHFFFAOYSA-N
Instrument Name	Varian Saturn 2100 T
Ionization Type	EI
Literature Reference DOI	10.1002/chem.201503915
Molecular Weight	354.560 g/mol
Quality	250
SMILES	C(SC(F)(F)F)CCCCCCCCCCCCCCCCC
SPLASH	splash10-000i-3090000000-9057b4dd6495c8a0aa33
Source of Spectrum	QE-21-SM42-3d (DOI: 10.1002/chem.201503915)
Wiley ID	1907381