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1H-Pyrazole-3-carboxylic acid, 5-[[(3,4-difluorophenyl)amino]carbonyl]-1-methyl-, ethyl ester
SpectraBase Compound ID 2jfUc6asrog
InChI InChI=1S/C14H13F2N3O3/c1-3-22-14(21)11-7-12(19(2)18-11)13(20)17-8-4-5-9(15)10(16)6-8/h4-7H,3H2,1-2H3,(H,17,20)
InChIKey ZLANGRVTEGENDZ-UHFFFAOYSA-N
Mol Weight 309.27 g/mol
Molecular Formula C14H13F2N3O3
Exact Mass 309.092498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JPOX0bCjm3c
Name 1H-Pyrazole-3-carboxylic acid, 5-[[(3,4-difluorophenyl)amino]carbonyl]-1-methyl-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 309.092497614 u
Formula C14H13F2N3O3
InChI InChI=1S/C14H13F2N3O3/c1-3-22-14(21)11-7-12(19(2)18-11)13(20)17-8-4-5-9(15)10(16)6-8/h4-7H,3H2,1-2H3,(H,17,20)
InChIKey ZLANGRVTEGENDZ-UHFFFAOYSA-N
Molecular Weight 309.273 g/mol
SMILES C1(=CC(C(=O)OCC)=NN1C)C(NC=1C=CC(F)=C(C1)F)=O