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3,5-dimethyl-1-phenyl-4-{[alpha-(phenylthio)benzyl]trio}pyrazole

View entire compound with spectra: 2 NMR, and 1 FTIR

3,5-dimethyl-1-phenyl-4-{[alpha-(phenylthio)benzyl]trio}pyrazole
SpectraBase Compound ID 3Iz6u5UMAzq
InChI InChI=1S/C24H22N2S2/c1-18-23(19(2)26(25-18)21-14-8-4-9-15-21)28-24(20-12-6-3-7-13-20)27-22-16-10-5-11-17-22/h3-17,24H,1-2H3
InChIKey PKNKVGXBYCINFU-UHFFFAOYSA-N
Mol Weight 402.57 g/mol
Molecular Formula C24H22N2S2
Exact Mass 402.122441 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AyqWwgwckoW
Name 3,5-DIMETHYL-1-PHENYL-4-{[alpha-(PHENYLTHIO)BENZYL]THIO}PYRAZOLE
Source of Sample R. J. Alabaster & W. J. Barry, Merck Sharp & Dohme Research Laboratories, Hoddesdon, Hertfordshire, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22N2S2
InChI InChI=1S/C24H22N2S2/c1-18-23(19(2)26(25-18)21-14-8-4-9-15-21)28-24(20-12-6-3-7-13-20)27-22-16-10-5-11-17-22/h3-17,24H,1-2H3
InChIKey PKNKVGXBYCINFU-UHFFFAOYSA-N
Melting Point 122-123C
Molecular Weight 402.58
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms PYRAZOLE, 3,5-DIMETHYL-1-PHENYL- 4-//A-/PHENYLTHIO/BENZYL/THIO/-,