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3-(p-Fluorophenyl)-5-(methylthio)-1-(phenylacetyl)pyrazole

View entire compound with spectra: 3 NMR, and 1 FTIR

3-(p-Fluorophenyl)-5-(methylthio)-1-(phenylacetyl)pyrazole
SpectraBase Compound ID LA0RuQreEuG
InChI InChI=1S/C18H15FN2OS/c1-23-18-12-16(14-7-9-15(19)10-8-14)20-21(18)17(22)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
InChIKey YURPRYFBSPJSQO-UHFFFAOYSA-N
Mol Weight 326.39 g/mol
Molecular Formula C18H15FN2OS
Exact Mass 326.088912 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HuYWultUrGP
Name 3-(p-Fluorophenyl)-5-(methylthio)-1-(phenylacetyl)pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.088912447 u
Formula C18H15FN2OS
InChI InChI=1S/C18H15FN2OS/c1-23-18-12-16(14-7-9-15(19)10-8-14)20-21(18)17(22)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
InChIKey YURPRYFBSPJSQO-UHFFFAOYSA-N
Molecular Weight 326.389 g/mol
SMILES C(CC=1C=CC=CC1)(N1C(=CC(=N1)C=1C=CC(=CC1)F)SC)=O