| SpectraBase Spectrum ID |
3LeYqPrYX5p |
| Name |
(4-bromostyryl)(trifluoromethyl)sulfane |
| Appearance |
Pale yellow liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
281.932568856 u |
| Formula |
C9H6BrF3S |
| GC Column |
HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| GC Oven Program |
Oven temp 320oC |
| InChI |
InChI=1S/C9H6BrF3S/c10-8-3-1-7(2-4-8)5-6-14-9(11,12)13/h1-6H |
| InChIKey |
CUWRHQRYAWCRKQ-UHFFFAOYSA-N |
| Instrument Name |
Agilent Technologies 7890A-5975C VL or Agilent 5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201600190 |
| Molecular Weight |
283.106 g/mol |
| Quality |
73 |
| Reported Formula |
C9H6BrSF3 |
| SMILES |
C1(=CC=C(C=C1)Br)C=CSC(F)(F)F |
| SPLASH |
splash10-001i-0960000000-a1a63ea8a9bb1df9e452 |
| Sample Comments |
Major isomer, E/Z = 75:25 |
| Source of Spectrum |
QE-22-SM21-3l (DOI: 10.1002/chem.201600190) |
| Thin-Layer Chromatography |
0.57 (DCM/n-pentane,3%) |
| Wiley ID |
1903049 |
