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2-TRIFLUOROMETHYL-7-NITRO-9-IMINO-4,9-DIHYDRO-1,2,4-TRIAZOLO[1,5-A]PYRIDO[2,3-D]PYRIMIDINE
SpectraBase Compound ID 6tV4SIPjknL
InChI InChI=1S/C9H4F3N7O2/c10-9(11,12)7-16-8-15-6-4(5(13)18(8)17-7)1-3(2-14-6)19(20)21/h1-2,13H,(H,14,15,16,17)
InChIKey TXVKMGUSJYVTJN-UHFFFAOYSA-N
Mol Weight 299.17 g/mol
Molecular Formula C9H4F3N7O2
Exact Mass 299.037857 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1akZkLzOWHT
Name 2-TRIFLUOROMETHYL-7-NITRO-9-IMINO-4,9-DIHYDRO-1,2,4-TRIAZOLO[1,5-A]PYRIDO[2,3-D]PYRIMIDINE
Comments #O`p
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Formula C9H4F3N7O2
InChI InChI=1S/C9H4F3N7O2/c10-9(11,12)7-16-8-15-6-4(5(13)18(8)17-7)1-3(2-14-6)19(20)21/h1-2,13H,(H,14,15,16,17)
InChIKey TXVKMGUSJYVTJN-UHFFFAOYSA-N
Instrument Name Bruker WP-80
Literature Reference O.N.CHUPAKHIN, V.L.RUSINOV, A.A.TUMASHOV, T.L.PILICHEVA, E.O.SIDOROV,I.V.KARPIN (1991) Khim.Heteroc.Soed.(Russ. Lang.): N2, 256-261.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D6SO dimethylsulfo