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2-(2,5-dihydro-2,6-dimethyl-5-oxo-1,2,4-triazin-3-yl)-4,4,4-trifluoro-3-oxobutyronitrile
SpectraBase Compound ID AyP8zWt9VAV
InChI InChI=1S/C9H7F3N4O2/c1-4-8(18)14-7(16(2)15-4)5(3-13)6(17)9(10,11)12/h5H,1-2H3
InChIKey RLAYQUBCOGOOSZ-UHFFFAOYSA-N
Mol Weight 260.18 g/mol
Molecular Formula C9H7F3N4O2
Exact Mass 260.05211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lrq8z9DdawK
Name 2-(2,5-dihydro-2,6-dimethyl-5-oxo-1,2,4-triazin-3-yl)-4,4,4-trifluoro-3-oxobutyronitrile
Alternate Name(s) 2-(2,6-dimethyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)-4,4,4-trifluoro-3-oxobutanenitrile
CAS Registry Number 94295-48-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7F3N4O2
InChI InChI=1S/C9H7F3N4O2/c1-4-8(18)14-7(16(2)15-4)5(3-13)6(17)9(10,11)12/h5H,1-2H3
InChIKey RLAYQUBCOGOOSZ-UHFFFAOYSA-N
Molecular Weight 260.176 g/mol
SMILES C1(=NC(=O)C(=NN1C)C)C(C(C(F)(F)F)=O)C#N
SPLASH splash10-0006-5920000000-ed74af635fc1e197f670
Source of Spectrum J-50-350-26
Wiley ID 1263081