| SpectraBase Spectrum ID |
JprATsJsopP |
| Name |
(E)-5-Nitro-1-(3,3,3-trifluoroprop-1-en-1-yl)-1H-indazole |
| Appearance |
Pale yellow solid |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.041210932 u |
| Formula |
C10H6F3N3O2 |
| GC Column |
HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C10H6F3N3O2/c11-10(12,13)3-4-15-9-2-1-8(16(17)18)5-7(9)6-14-15/h1-6H/b4-3+ |
| InChIKey |
TXOICHZXUYFVHN-ONEGZZNKSA-N |
| Instrument Name |
Agilent 6890N-Agilent 5973 |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1002/chem.202102840 |
| Molecular Weight |
257.172 g/mol |
| Quality |
383 |
| Reported Formula |
C10H6N3O2F3 |
| SMILES |
C1([N+](=O)[O-])=CC2=C(C=C1)N(N=C2)\C=C\C(F)(F)F |
| SPLASH |
splash10-0a4i-1390000000-edc30b709952d403b569 |
| Source of Spectrum |
QE-27-SM39-33 (DOI: 10.1002/chem.202102840) |
| Thin-Layer Chromatography |
0.40 (hexanes/EtOAc, 5:1) |
| Wiley ID |
1904242 |
