| 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 |
