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urea, N-(5-methyl-1H-pyrazol-3-yl)-N'-[4-(trifluoromethyl)benzoyl]-
SpectraBase Compound ID LqWFJFW6cin
InChI InChI=1S/C13H11F3N4O2/c1-7-6-10(20-19-7)17-12(22)18-11(21)8-2-4-9(5-3-8)13(14,15)16/h2-6H,1H3,(H3,17,18,19,20,21,22)
InChIKey XPNYHNOTNGXOQK-UHFFFAOYSA-N
Mol Weight 312.25 g/mol
Molecular Formula C13H11F3N4O2
Exact Mass 312.08341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AUTzHnbqUnn
Name 1-(5-Methyl-1H-pyrazol-3-yl)-3-(4-trifluoromethyl-benzoyl)-urea
Alternate Name(s) N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]-4-(trifluoromethyl)benzamide N-[[(5-methyl-1H-pyrazol-3-yl)amino]-oxomethyl]-4-(trifluoromethyl)benzamide
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Formula C13H11F3N4O2
InChI InChI=1S/C13H11F3N4O2/c1-7-6-10(20-19-7)17-12(22)18-11(21)8-2-4-9(5-3-8)13(14,15)16/h2-6H,1H3,(H3,17,18,19,20,21,22)
InChIKey XPNYHNOTNGXOQK-UHFFFAOYSA-N
Molecular Weight 312.252 g/mol
SMILES N(c1n[nH]c(c1)C)C(NC(c1ccc(C(F)(F)F)cc1)=O)=O
SPLASH splash10-00dj-8900000000-1367692b4546759fb1e7
Wiley ID 1465782