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3-(Methylthio)-1,5-diphenyl-4-phenylethynyl-1H-pyrazole

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

3-(Methylthio)-1,5-diphenyl-4-phenylethynyl-1H-pyrazole
SpectraBase Compound ID DBNSrbyuLPY
InChI InChI=1S/C24H18N2S/c1-27-24-22(18-17-19-11-5-2-6-12-19)23(20-13-7-3-8-14-20)26(25-24)21-15-9-4-10-16-21/h2-16H,1H3
InChIKey AEAQHUMFHUCXPB-UHFFFAOYSA-N
Mol Weight 366.48 g/mol
Molecular Formula C24H18N2S
Exact Mass 366.11907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6FXkTCIUE7O
Name 3-(Methylthio)-1,5-diphenyl-4-phenylethynyl-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.119069762 u
Formula C24H18N2S
InChI InChI=1S/C24H18N2S/c1-27-24-22(18-17-19-11-5-2-6-12-19)23(20-13-7-3-8-14-20)26(25-24)21-15-9-4-10-16-21/h2-16H,1H3
InChIKey AEAQHUMFHUCXPB-UHFFFAOYSA-N
Molecular Weight 366.482 g/mol
SMILES C1(=NN(C(=C1C#CC=1C=CC=CC1)C=1C=CC=CC1)C1=CC=CC=C1)SC