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5-(2-nitrophenyl)-3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1H-1,2,4-triazole

View entire compound with spectra: 1 NMR, and 2 MS (GC)

5-(2-nitrophenyl)-3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1H-1,2,4-triazole
SpectraBase Compound ID JmTQfxkmSuw
InChI InChI=1S/C15H8F3N5O4S/c16-15(17,18)8-5-6-12(11(7-8)23(26)27)28-14-19-13(20-21-14)9-3-1-2-4-10(9)22(24)25/h1-7H,(H,19,20,21)
InChIKey WQBPPKMCNIYSIG-UHFFFAOYSA-N
Mol Weight 411.32 g/mol
Molecular Formula C15H8F3N5O4S
Exact Mass 411.024909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4XNeK2Va9Q
Name 5-(2-nitrophenyl)-3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1H-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H8F3N5O4S
InChI InChI=1S/C15H8F3N5O4S/c16-15(17,18)8-5-6-12(11(7-8)23(26)27)28-14-19-13(20-21-14)9-3-1-2-4-10(9)22(24)25/h1-7H,(H,19,20,21)
InChIKey WQBPPKMCNIYSIG-UHFFFAOYSA-N
Molecular Weight 411.315 g/mol
SMILES [nH]1nc(nc1-c1c(N(=O)=O)cccc1)Sc1c(N(=O)=O)cc(C(F)(F)F)cc1
SPLASH splash10-0ugi-5912000000-7e9f0b5a5f6ea0c0189f
Wiley ID 1447101