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Methyl-3-[3-(4-chlorophenyl)-1-(2-pyridyl)-pyrazol-5-yl]-propionate

View entire compound with spectra: 2 NMR

Methyl-3-[3-(4-chlorophenyl)-1-(2-pyridyl)-pyrazol-5-yl]-propionate
SpectraBase Compound ID CFRawo4ibTE
InChI InChI=1S/C18H16ClN3O2/c1-24-18(23)10-9-15-12-16(13-5-7-14(19)8-6-13)21-22(15)17-4-2-3-11-20-17/h2-8,11-12H,9-10H2,1H3
InChIKey KZJGERHRIJMVRV-UHFFFAOYSA-N
Mol Weight 341.8 g/mol
Molecular Formula C18H16ClN3O2
Exact Mass 341.093104 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AsvtlhW34pa
Name Methyl-3-[3-(4-chlorophenyl)-1-(2-pyridyl)-pyrazol-5-yl]-propionate
Comments Computed using HOSE algorithm
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Exact Mass 341.093104465 u
Formula C18H16ClN3O2
InChI InChI=1S/C18H16ClN3O2/c1-24-18(23)10-9-15-12-16(13-5-7-14(19)8-6-13)21-22(15)17-4-2-3-11-20-17/h2-8,11-12H,9-10H2,1H3
InChIKey KZJGERHRIJMVRV-UHFFFAOYSA-N
Molecular Weight 341.798 g/mol
SMILES C1(=NN(C(=C1)CCC(=O)OC)C=1C=CC=CN1)C1=CC=C(Cl)C=C1