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5-Methyl-1-phenyl-3-(4-chlorphenyl)-2-pyrazolin-5- carboxylic acid, methyl ester

View entire compound with spectra: 1 NMR

5-Methyl-1-phenyl-3-(4-chlorphenyl)-2-pyrazolin-5- carboxylic acid, methyl ester
SpectraBase Compound ID GW7oZazsSYC
InChI InChI=1S/C18H17ClN2O2/c1-18(17(22)23-2)12-16(13-8-10-14(19)11-9-13)20-21(18)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKey IUJFUTUJBGLVAC-UHFFFAOYSA-N
Mol Weight 328.8 g/mol
Molecular Formula C18H17ClN2O2
Exact Mass 328.097855 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BlKrb4zWaDc
Name 5-Methyl-1-phenyl-3-(4-chlorphenyl)-2-pyrazolin-5- carboxylic acid, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 328.097855493 u
Formula C18H17ClN2O2
InChI InChI=1S/C18H17ClN2O2/c1-18(17(22)23-2)12-16(13-8-10-14(19)11-9-13)20-21(18)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKey IUJFUTUJBGLVAC-UHFFFAOYSA-N
Molecular Weight 328.799 g/mol
SMILES C1=CC=CC(=C1)N1C(CC(C2=CC=C(C=C2)Cl)=N1)(C)C(OC)=O