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4-Amino-N-[2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]-1,2,5-oxadiazole-3-carboxamide
SpectraBase Compound ID No8FiqvXGX
InChI InChI=1S/C12H11F3N6O4/c13-12(14,15)7-5-6(21(23)24)1-2-8(7)17-3-4-18-11(22)9-10(16)20-25-19-9/h1-2,5,17H,3-4H2,(H2,16,20)(H,18,22)
InChIKey KDLCIAFPVGPOLT-UHFFFAOYSA-N
Mol Weight 360.25 g/mol
Molecular Formula C12H11F3N6O4
Exact Mass 360.079387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B03twEot2Dg
Name 4-Amino-N-[2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]-1,2,5-oxadiazole-3-carboxamide
Alternate Name(s) 4-Amino-N-[2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]furazan-3-carboxamide 4-Azanyl-N-[2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]ethyl]-1,2,5-oxadiazole-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11F3N6O4
InChI InChI=1S/C12H11F3N6O4/c13-12(14,15)7-5-6(21(23)24)1-2-8(7)17-3-4-18-11(22)9-10(16)20-25-19-9/h1-2,5,17H,3-4H2,(H2,16,20)(H,18,22)
InChIKey KDLCIAFPVGPOLT-UHFFFAOYSA-N
Molecular Weight 360.253 g/mol
SMILES Nc1c(C(=O)NCCNc2c(C(F)(F)F)cc(N(=O)=O)cc2)non1
SPLASH splash10-00l2-5980000000-d4b8b919ae438e2e786c
Wiley ID 1452981