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ethyl 3-[4-chloro-3,5-bis(4-methylphenyl)-1H-pyrazol-1-yl]propanoate

View entire compound with spectra: 2 NMR

ethyl 3-[4-chloro-3,5-bis(4-methylphenyl)-1H-pyrazol-1-yl]propanoate
SpectraBase Compound ID AHUc8RITUYz
InChI InChI=1S/C22H23ClN2O2/c1-4-27-19(26)13-14-25-22(18-11-7-16(3)8-12-18)20(23)21(24-25)17-9-5-15(2)6-10-17/h5-12H,4,13-14H2,1-3H3
InChIKey AHUAYUBGCGOTOL-UHFFFAOYSA-N
Mol Weight 382.89 g/mol
Molecular Formula C22H23ClN2O2
Exact Mass 382.144806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GNk8UVBmRoW
Name Ethyl 3-[4-chloro-3,5-bis(4-methylphenyl)-1H-pyrazol-1-yl]propanoate
Comments Computed using HOSE algorithm
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Exact Mass 382.144805687 u
Formula C22H23ClN2O2
InChI InChI=1S/C22H23ClN2O2/c1-4-27-19(26)13-14-25-22(18-11-7-16(3)8-12-18)20(23)21(24-25)17-9-5-15(2)6-10-17/h5-12H,4,13-14H2,1-3H3
InChIKey AHUAYUBGCGOTOL-UHFFFAOYSA-N
Molecular Weight 382.891 g/mol
SMILES CCOC(CCN1C(=C(Cl)C(=N1)C=1C=CC(=CC1)C)C1=CC=C(C)C=C1)=O