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1,2,4-Oxadiazol-5-amine, 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-
SpectraBase Compound ID 4usOA86UC7Y
InChI InChI=1S/C12H9F3N6O2/c13-12(14,15)7-3-1-2-6(4-7)5-17-11-18-10(21-22-11)8-9(16)20-23-19-8/h1-4H,5H2,(H2,16,20)(H,17,18,21)
InChIKey ZKIJOZHFNKPIQZ-UHFFFAOYSA-N
Mol Weight 326.24 g/mol
Molecular Formula C12H9F3N6O2
Exact Mass 326.073908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDA6cx52IYp
Name 1,2,4-Oxadiazol-5-amine, 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-
Alternate Name(s) 4-[5-[[3-(trifluoromethyl)phenyl]methylamino]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9F3N6O2
InChI InChI=1S/C12H9F3N6O2/c13-12(14,15)7-3-1-2-6(4-7)5-17-11-18-10(21-22-11)8-9(16)20-23-19-8/h1-4H,5H2,(H2,16,20)(H,17,18,21)
InChIKey ZKIJOZHFNKPIQZ-UHFFFAOYSA-N
Molecular Weight 326.239 g/mol
SMILES Nc1nonc1-c1nc(on1)NCc1cc(ccc1)C(F)(F)F
SPLASH splash10-0a4i-4910000000-48dda9788d85dbb0070a
Source of Spectrum IY-2-4799-0
Wiley ID 1655973