| SpectraBase Spectrum ID |
KFmIfwF6SbK |
| Name |
(E)-4-Iodo-3,5-dimethyl-1-(3,3,3-trifluoroprop-1-en-1-yl)-1H-pyrazole |
| Appearance |
White crystals |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.968427755 u |
| Formula |
C8H8F3IN2 |
| GC Column |
HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C8H8F3IN2/c1-5-7(12)6(2)14(13-5)4-3-8(9,10)11/h3-4H,1-2H3/b4-3+ |
| InChIKey |
SMQMBCKTCYLTBX-ONEGZZNKSA-N |
| Instrument Name |
Agilent 6890N-Agilent 5973 |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1002/chem.202102840 |
| Molecular Weight |
316.066 g/mol |
| Quality |
234 |
| Reported Formula |
C8H8F3N2I |
| SMILES |
C=1(C(=NN(C1C)\C=C\C(F)(F)F)C)I |
| SPLASH |
splash10-014i-1119000000-5c669c8e3c172618fbfb |
| Source of Spectrum |
QE-27-SM20-6 (DOI: 10.1002/chem.202102840) |
| Thin-Layer Chromatography |
0.60 (hexanes/EtOAc, 10:1) |
| Wiley ID |
1904258 |
