| SpectraBase Spectrum ID |
GeB2Oscz3FU |
| Name |
1,2,5-Tri-(4-nitrophenyl)-1H-pyrazole |
| Appearance |
Yellow solid |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
431.086583153 u |
| Formula |
C21H13N5O6 |
| GC Column |
HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C21H13N5O6/c27-24(28)17-5-1-14(2-6-17)20-13-21(15-3-7-18(8-4-15)25(29)30)23(22-20)16-9-11-19(12-10-16)26(31)32/h1-13H |
| InChIKey |
JJNSWQWSAWYKSK-UHFFFAOYSA-N |
| Instrument Name |
Agilent 6890N-5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201502995 |
| Molecular Weight |
431.364 g/mol |
| Reported Formula |
C21H13N5O6 |
| SMILES |
C=1C=C(C=CC1[N+]([O-])=O)N1N=C(C=C1C1=CC=C(C=C1)[N+]([O-])=O)C1=CC=C(C=C1)[N+]([O-])=O |
| SPLASH |
splash10-0a4i-0009000000-7fc853ac7f1baadda75d |
| Source of Spectrum |
QE-21-SM57-3x (DOI: 10.1002/chem.201502995) |
| Thin-Layer Chromatography |
0.35 (hexane/EtOAc, 4:1) |
| Wiley ID |
1907320 |
