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Urea, 1-[2-(3-fluorophenyl)-5-methyl-2H-pyrazol-3-yl]-3-(4-methylbenzoyl)-
SpectraBase Compound ID 1BeaQswaabm
InChI InChI=1S/C19H17FN4O2/c1-12-6-8-14(9-7-12)18(25)22-19(26)21-17-10-13(2)23-24(17)16-5-3-4-15(20)11-16/h3-11H,1-2H3,(H2,21,22,25,26)
InChIKey JCVZASOCHRNJQL-UHFFFAOYSA-N
Mol Weight 352.37 g/mol
Molecular Formula C19H17FN4O2
Exact Mass 352.133554 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2z1dkOqLvRa
Name Urea, 1-[2-(3-fluorophenyl)-5-methyl-2H-pyrazol-3-yl]-3-(4-methylbenzoyl)-
Comments Computed using HOSE algorithm
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Exact Mass 352.133553964 u
Formula C19H17FN4O2
InChI InChI=1S/C19H17FN4O2/c1-12-6-8-14(9-7-12)18(25)22-19(26)21-17-10-13(2)23-24(17)16-5-3-4-15(20)11-16/h3-11H,1-2H3,(H2,21,22,25,26)
InChIKey JCVZASOCHRNJQL-UHFFFAOYSA-N
Molecular Weight 352.369 g/mol
SMILES C1(=CC=C(C=C1)C)C(NC(NC=1N(C2=CC(=CC=C2)F)N=C(C1)C)=O)=O