For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(2,4,6-trimethylstyryl)(trifluoromethyl)sulfane
SpectraBase Compound ID 1UgJGzUSoRj
InChI InChI=1S/C12H13F3S/c1-8-6-9(2)11(10(3)7-8)4-5-16-12(13,14)15/h4-7H,1-3H3
InChIKey UZQINVICAYMOCJ-UHFFFAOYSA-N
Mol Weight 246.29 g/mol
Molecular Formula C12H13F3S
Exact Mass 246.069006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KuDTBjostxt
Name (2,4,6-trimethylstyryl)(trifluoromethyl)sulfane
Appearance Colourless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.069006082 u
Formula C12H13F3S
GC Column HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 320oC
InChI InChI=1S/C12H13F3S/c1-8-6-9(2)11(10(3)7-8)4-5-16-12(13,14)15/h4-7H,1-3H3
InChIKey UZQINVICAYMOCJ-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A-5975C VL or Agilent 5975
Ionization Type EI
Literature Reference DOI 10.1002/chem.201600190
Molecular Weight 246.291 g/mol
Quality 114
Reported Formula C12H13SF3
SMILES C1(=C(C=C(C=C1C)C)C)C=CSC(F)(F)F
SPLASH splash10-01r2-0930000000-126b59ab5da372165dbe
Sample Comments Minor isomer, E/Z = 81:19
Source of Spectrum QE-22-SM22-3n (DOI: 10.1002/chem.201600190)
Thin-Layer Chromatography 0.60 (DCM/n-pentane, 2%)
Wiley ID 1903050