| SpectraBase Spectrum ID |
2M64KmcMHw |
| Name |
(E)-4-nitro-1-(3,3,3-trifluoroprop-1-en-1-yl)-1H-benzo[d][1,2,3]triazole |
| Appearance |
Yellowish white powder |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H5F3N4O2 |
| GC Column |
HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C9H5F3N4O2/c10-9(11,12)4-5-15-6-2-1-3-7(16(17)18)8(6)13-14-15/h1-5H/b5-4+ |
| InChIKey |
IFSCHKMNWLAWDI-SNAWJCMRSA-N |
| Instrument Name |
Agilent 6890N-Agilent 5973 |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1002/chem.202102840 |
| Molecular Weight |
258.160 g/mol |
| Quality |
349 |
| Reported Formula |
C9H5F3N4O2 |
| SMILES |
C1([N+](=O)[O-])=CC=CC2=C1N=NN2\C=C\C(F)(F)F |
| SPLASH |
splash10-05r9-9730000000-e1f92826a9fe1d235b89 |
| Source of Spectrum |
QE-27-SM44-41 (DOI: 10.1002/chem.202102840) |
| Thin-Layer Chromatography |
0.65 (hexanes/EtOAc, 1:1) |
| Wiley ID |
1904250 |
![(E)-4-nitro-1-(3,3,3-trifluoroprop-1-en-1-yl)-1H-benzo[d][1,2,3]triazole](/api/spectrum/2M64KmcMHw/structure.png?h=300&w=458 "(E)-4-nitro-1-(3,3,3-trifluoroprop-1-en-1-yl)-1H-benzo[d][1,2,3]triazole")
