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2-(4-nitrophenylamino)-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
SpectraBase Compound ID 7qkWV1K5pz0
InChI InChI=1S/C13H8F6N4O3/c14-12(15,16)6-26-10-9(13(17,18)19)5-20-11(22-10)21-7-1-3-8(4-2-7)23(24)25/h1-5H,6H2,(H,20,21,22)
InChIKey ATBHUZMHMSMKOH-UHFFFAOYSA-N
Mol Weight 382.22 g/mol
Molecular Formula C13H8F6N4O3
Exact Mass 382.050059 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L48YFpDTaop
Name 2-(4-nitrophenylamino)-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
Appearance Yellow solid
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Formula C13H8F6N4O3
InChI InChI=1S/C13H8F6N4O3/c14-12(15,16)6-26-10-9(13(17,18)19)5-20-11(22-10)21-7-1-3-8(4-2-7)23(24)25/h1-5H,6H2,(H,20,21,22)
InChIKey ATBHUZMHMSMKOH-UHFFFAOYSA-N
Instrument Name GCMS-QP2010 Plus
Ionization Type EI
Molecular Weight 382.222 g/mol
SMILES N(c1ncc(c(n1)OCC(F)(F)F)C(F)(F)F)c1ccc(cc1)[N+]([O-])=O
SPLASH splash10-001i-0019000000-c558a1c23dae874cc946
Source of Spectrum JP6391985B2
Wiley ID 1872518