| SpectraBase Spectrum ID |
d5lygoDKa7 |
| Name |
(E)-4-Iodo-3,5-diphenyl-1-(3,3,3-trifluoroprop-1-en-1-yl)-1H-pyrazole |
| Appearance |
White crystals |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
439.999727883 u |
| Formula |
C18H12F3IN2 |
| GC Column |
HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C18H12F3IN2/c19-18(20,21)11-12-24-17(14-9-5-2-6-10-14)15(22)16(23-24)13-7-3-1-4-8-13/h1-12H/b12-11+ |
| InChIKey |
UCTKRMDYYFFZNH-VAWYXSNFSA-N |
| Instrument Name |
Agilent 6890N-Agilent 5973 |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1002/chem.202102840 |
| Molecular Weight |
440.208 g/mol |
| Quality |
251 |
| Reported Formula |
C18H12F3N2I |
| SMILES |
C1(=CC=CC=C1)C1=C(C(=NN1\C=C\C(F)(F)F)C1=CC=CC=C1)I |
| SPLASH |
splash10-0006-4741900000-6f931b5df0851bf6e406 |
| Source of Spectrum |
QE-27-SM25-14 (DOI: 10.1002/chem.202102840) |
| Thin-Layer Chromatography |
0.73 (hexanes/EtOAc, 5:1) |
| Wiley ID |
1904218 |
