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3-(4-nitro-phenyl)-7-trifluoromethyl-6-methyl[1,2,4]triazolo[4,3-a]pyrimidine
SpectraBase Compound ID Gham4xEDohS
InChI InChI=1S/C13H8F3N5O2/c1-7-6-20-11(8-2-4-9(5-3-8)21(22)23)18-19-12(20)17-10(7)13(14,15)16/h2-6H,1H3
InChIKey LVLUCFMRXIVNCM-UHFFFAOYSA-N
Mol Weight 323.24 g/mol
Molecular Formula C13H8F3N5O2
Exact Mass 323.063009 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IuUp7bFuenM
Name 3-(4-nitro-phenyl)-7-trifluoromethyl-6-methyl[1,2,4]triazolo[4,3-a]pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8F3N5O2
InChI InChI=1S/C13H8F3N5O2/c1-7-6-20-11(8-2-4-9(5-3-8)21(22)23)18-19-12(20)17-10(7)13(14,15)16/h2-6H,1H3
InChIKey LVLUCFMRXIVNCM-UHFFFAOYSA-N
Molecular Weight 323.235 g/mol
SMILES c12[n](C=C(C(=N2)C(F)(F)F)C)c(nn1)-c1ccc(N(=O)=O)cc1
SPLASH splash10-00di-0179000000-e2701c646aae9aef6a69
Source of Spectrum Y-48-1089-4e
Wiley ID 1704490