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

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

2-{[5-(1-ethyl-3-methylpyrazol-5-yl)-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]thio}acetophenone
SpectraBase Compound ID HE498rQNWoR
InChI InChI=1S/C20H25N5O2S/c1-4-25-17(13-15(2)23-25)19-21-22-20(24(19)11-8-12-27-3)28-14-18(26)16-9-6-5-7-10-16/h5-7,9-10,13H,4,8,11-12,14H2,1-3H3
InChIKey KJYCYDQLLJEOAU-UHFFFAOYSA-N
Mol Weight 399.51 g/mol
Molecular Formula C20H25N5O2S
Exact Mass 399.172896 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7gUMNkbNEkF
Name 2-{[5-(1-ETHYL-3-METHYLPYRAZOL-5-YL)-4-(3-METHOXYPROPYL)-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 C20H25N5O2S
InChI InChI=1S/C20H25N5O2S/c1-4-25-17(13-15(2)23-25)19-21-22-20(24(19)11-8-12-27-3)28-14-18(26)16-9-6-5-7-10-16/h5-7,9-10,13H,4,8,11-12,14H2,1-3H3
InChIKey KJYCYDQLLJEOAU-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 70-72C
Molecular Weight 399.52
Solvent CDCl3; Reference=TMS; Temperature 297K