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2-{[5-(1-ethyl-3-methylpyrazol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetophenone

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2-{[5-(1-ethyl-3-methylpyrazol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetophenone
SpectraBase Compound ID LwK0fzgzLtB
InChI InChI=1S/C22H21N5OS/c1-3-26-19(14-16(2)25-26)21-23-24-22(27(21)18-12-8-5-9-13-18)29-15-20(28)17-10-6-4-7-11-17/h4-14H,3,15H2,1-2H3
InChIKey SQNRPKPDCDBCSH-UHFFFAOYSA-N
Mol Weight 403.5 g/mol
Molecular Formula C22H21N5OS
Exact Mass 403.146681 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3C80kAmPF67
Name 2-{[5-(1-ETHYL-3-METHYLPYRAZOL-5-YL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]THIO}ACETOPHENONE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N5OS
InChI InChI=1S/C22H21N5OS/c1-3-26-19(14-16(2)25-26)21-23-24-22(27(21)18-12-8-5-9-13-18)29-15-20(28)17-10-6-4-7-11-17/h4-14H,3,15H2,1-2H3
InChIKey SQNRPKPDCDBCSH-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 152-154C
Molecular Weight 403.51
Solvent CDCl3; Reference=TMS; Temperature 297K