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3-Methyl-1-phenyl-5-(8-quinolinylthio)-4-pyrazolecarboxaldehyde

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

3-Methyl-1-phenyl-5-(8-quinolinylthio)-4-pyrazolecarboxaldehyde
SpectraBase Compound ID K4gqfWMREJI
InChI InChI=1S/C20H15N3OS/c1-14-17(13-24)20(23(22-14)16-9-3-2-4-10-16)25-18-11-5-7-15-8-6-12-21-19(15)18/h2-13H,1H3
InChIKey YXJKUBISVBELDJ-UHFFFAOYSA-N
Mol Weight 345.42 g/mol
Molecular Formula C20H15N3OS
Exact Mass 345.093583 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DqXJT7ysB3S
Name 3-Methyl-1-phenyl-5-(8-quinolinylthio)-4-pyrazolecarboxaldehyde
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.093583288 u
Formula C20H15N3OS
InChI InChI=1S/C20H15N3OS/c1-14-17(13-24)20(23(22-14)16-9-3-2-4-10-16)25-18-11-5-7-15-8-6-12-21-19(15)18/h2-13H,1H3
InChIKey YXJKUBISVBELDJ-UHFFFAOYSA-N
Molecular Weight 345.420 g/mol
SMILES C=1C2=C(N=CC1)C(=CC=C2)SC1=C(C(=NN1C1=CC=CC=C1)C)C=O