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4-[1-(4-methoxyphenyl)-5-(2-pyridyl)-2-pyrazolin-3-yl]benzonitrile
SpectraBase Compound ID B3LQP0S5On6
InChI InChI=1S/C22H18N4O/c1-27-19-11-9-18(10-12-19)26-22(20-4-2-3-13-24-20)14-21(25-26)17-7-5-16(15-23)6-8-17/h2-13,22H,14H2,1H3
InChIKey ZZIOCAIXMMGADS-UHFFFAOYSA-N
Mol Weight 354.41 g/mol
Molecular Formula C22H18N4O
Exact Mass 354.148061 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IirrUdZ9yL6
Name 4-[1-(4-methoxyphenyl)-5-(2-pyridyl)-2-pyrazolin-3-yl]benzonitrile
Alternate Name(s) 4-[2-(4-methoxyphenyl)-3-(2-pyridinyl)-3,4-dihydropyrazol-5-yl]benzonitrile 4-[2-(4-methoxyphenyl)-3-(2-pyridyl)-3,4-dihydropyrazol-5-yl]benzonitrile 4-[2-(4-methoxyphenyl)-3-pyridin-2-yl-3,4-dihydropyrazol-5-yl]benzenecarbonitrile 4-[2-(4-methoxyphenyl)-3-pyridin-2-yl-3,4-dihydropyrazol-5-yl]benzonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C22H18N4O
InChI InChI=1S/C22H18N4O/c1-27-19-11-9-18(10-12-19)26-22(20-4-2-3-13-24-20)14-21(25-26)17-7-5-16(15-23)6-8-17/h2-13,22H,14H2,1H3
InChIKey ZZIOCAIXMMGADS-UHFFFAOYSA-N
Molecular Weight 354.413 g/mol
SMILES C1(=NN(C(C1)c1ncccc1)c1ccc(cc1)OC)c1ccc(C#N)cc1
SPLASH splash10-0udi-0209000000-a1c69d6229ac99abf618
Source of Spectrum KC-0-689-4
Wiley ID 821707