For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-3-nitro-1H-1,2,4-triazole
SpectraBase Compound ID 5QxB3uYFCDk
InChI InChI=1S/C9H3F3N6O6/c10-9(11,12)4-1-5(16(19)20)7(6(2-4)17(21)22)15-3-13-8(14-15)18(23)24/h1-3H
InChIKey FIPTVKDJMAVUIE-UHFFFAOYSA-N
Mol Weight 348.15 g/mol
Molecular Formula C9H3F3N6O6
Exact Mass 348.006616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID hr4oc8PRa
Name 1-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-3-nitro-1H-1,2,4-triazole
Alternate Name(s) 1-(2,6-dinitro-4-(trifluoromethyl)phenyl)-3-nitro-1H-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H3F3N6O6
InChI InChI=1S/C9H3F3N6O6/c10-9(11,12)4-1-5(16(19)20)7(6(2-4)17(21)22)15-3-13-8(14-15)18(23)24/h1-3H
InChIKey FIPTVKDJMAVUIE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/asia.201300969
Molecular Weight 348.154 g/mol
SMILES c1(n[n](cn1)-c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]
SPLASH splash10-0002-0009000000-9ff7ec78c541204969fc
Source of Spectrum CAJ-9-176-9a
Wiley ID 1772070