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Ethyl 3-(1-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)propanoate
SpectraBase Compound ID B1fK70Q6Xu8
InChI InChI=1S/C15H15F3N2O2/c1-2-22-14(21)9-8-11-10-13(15(16,17)18)20(19-11)12-6-4-3-5-7-12/h3-7,10H,2,8-9H2,1H3
InChIKey XKNRIMLXJMPIIV-UHFFFAOYSA-N
Mol Weight 312.29 g/mol
Molecular Formula C15H15F3N2O2
Exact Mass 312.108562 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4JBIjqimxtf
Name Ethyl 3-(1-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)propanoate
Comments Computed using HOSE algorithm
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Exact Mass 312.108562218 u
Formula C15H15F3N2O2
InChI InChI=1S/C15H15F3N2O2/c1-2-22-14(21)9-8-11-10-13(15(16,17)18)20(19-11)12-6-4-3-5-7-12/h3-7,10H,2,8-9H2,1H3
InChIKey XKNRIMLXJMPIIV-UHFFFAOYSA-N
Molecular Weight 312.292 g/mol
SMILES C=1(N(N=C(C1)CCC(=O)OCC)C1=CC=CC=C1)C(F)(F)F