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Ethyl 1-(2,4-dichlorophenyl)-4-methyl-5-phenyl-1H-pyrazole-3-carboxylate
SpectraBase Compound ID 1wIeOp1pLAd
InChI InChI=1S/C19H16Cl2N2O2/c1-3-25-19(24)17-12(2)18(13-7-5-4-6-8-13)23(22-17)16-10-9-14(20)11-15(16)21/h4-11H,3H2,1-2H3
InChIKey WHMQWALXEHYKPY-UHFFFAOYSA-N
Mol Weight 375.26 g/mol
Molecular Formula C19H16Cl2N2O2
Exact Mass 374.058883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JZbg096Qh6r
Name Ethyl 1-(2,4-dichlorophenyl)-4-methyl-5-phenyl-1H-pyrazole-3-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 374.058883161 u
Formula C19H16Cl2N2O2
InChI InChI=1S/C19H16Cl2N2O2/c1-3-25-19(24)17-12(2)18(13-7-5-4-6-8-13)23(22-17)16-10-9-14(20)11-15(16)21/h4-11H,3H2,1-2H3
InChIKey WHMQWALXEHYKPY-UHFFFAOYSA-N
Molecular Weight 375.255 g/mol
SMILES C1(=NN(C(=C1C)C1=CC=CC=C1)C1=C(C=C(C=C1)Cl)Cl)C(=O)OCC