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

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

5-(Methylthio)-1,3-diphenyl-4-phenylethynyl-1H-pyrazole
SpectraBase Compound ID G1JdSvIzECW
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)25-26(24)21-15-9-4-10-16-21/h2-16H,1H3
InChIKey WLJLBHFXGAYFRQ-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 C8xPyDgKnuF
Name 5-(Methylthio)-1,3-diphenyl-4-phenylethynyl-1H-pyrazole
Comments Computed using HOSE algorithm
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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)25-26(24)21-15-9-4-10-16-21/h2-16H,1H3
InChIKey WLJLBHFXGAYFRQ-UHFFFAOYSA-N
Molecular Weight 366.482 g/mol
SMILES C1(=C(N(C2=CC=CC=C2)N=C1C=1C=CC=CC1)SC)C#CC=1C=CC=CC1