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Methyl 5-methyl-1-phenyl-3-styryl-1H-pyrazole-4-carboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Methyl 5-methyl-1-phenyl-3-styryl-1H-pyrazole-4-carboxylate
SpectraBase Compound ID GXbXqiimqDc
InChI InChI=1S/C20H18N2O2/c1-15-19(20(23)24-2)18(14-13-16-9-5-3-6-10-16)21-22(15)17-11-7-4-8-12-17/h3-14H,1-2H3/b14-13+
InChIKey RHNFTQINNLLFKH-BUHFOSPRSA-N
Mol Weight 318.38 g/mol
Molecular Formula C20H18N2O2
Exact Mass 318.136828 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JrHB293pGu0
Name Methyl 5-methyl-1-phenyl-3-styryl-1H-pyrazole-4-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 318.136827826 u
Formula C20H18N2O2
InChI InChI=1S/C20H18N2O2/c1-15-19(20(23)24-2)18(14-13-16-9-5-3-6-10-16)21-22(15)17-11-7-4-8-12-17/h3-14H,1-2H3/b14-13+
InChIKey RHNFTQINNLLFKH-BUHFOSPRSA-N
Molecular Weight 318.376 g/mol
SMILES C=1(N2C(C)=C(C(OC)=O)C(=N2)\C=C\C2=CC=CC=C2)C=CC=CC1