| SpectraBase Spectrum ID |
EM7wrTTOgSY |
| Name |
Ethyl 4-(1,1,2,2-tetrafluoro-2-(pyrimidin-2-ylthio)ethoxy)benzoate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.050476077 u |
| Formula |
C15H12F4N2O3S |
| GC Column |
HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C15H12F4N2O3S/c1-2-23-12(22)10-4-6-11(7-5-10)24-14(16,17)15(18,19)25-13-20-8-3-9-21-13/h3-9H,2H2,1H3 |
| InChIKey |
XONBFSCVEQFMDM-UHFFFAOYSA-N |
| Instrument Name |
Agilent 7890A-5975C quadrupole mass selective |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201503531 |
| Molecular Weight |
376.326 g/mol |
| Quality |
149 |
| Reported Formula |
C15H12F4N2O3S |
| SMILES |
C1(SC(C(OC2=CC=C(C=C2)C(OCC)=O)(F)F)(F)F)=NC=CC=N1 |
| SPLASH |
splash10-03e9-2196000000-545f8919a2f0006d5791 |
| Source of Spectrum |
QE-22-SM11-11dl (DOI: 10.1002/chem.201503531) |
| Thin-Layer Chromatography |
0.23 (EtOAc/hexane, 1:5) |
| Wiley ID |
1902964 |
