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3-(benzylthio)-5-(1-ethyl-3-methylpyrazol-5-yl)-4-methyl-4H-1,2,4-triazole

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

3-(benzylthio)-5-(1-ethyl-3-methylpyrazol-5-yl)-4-methyl-4H-1,2,4-triazole
SpectraBase Compound ID JFngw2jt0Qk
InChI InChI=1S/C16H19N5S/c1-4-21-14(10-12(2)19-21)15-17-18-16(20(15)3)22-11-13-8-6-5-7-9-13/h5-10H,4,11H2,1-3H3
InChIKey ZEOHAXJLFVHQQK-UHFFFAOYSA-N
Mol Weight 313.42 g/mol
Molecular Formula C16H19N5S
Exact Mass 313.136117 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gn6jMf044Xa
Name 3-(BENZYLTHIO)-5-(1-ETHYL-3-METHYLPYRAZOL-5-YL)-4-METHYL-4H-1,2,4-TRIAZOLE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19N5S
InChI InChI=1S/C16H19N5S/c1-4-21-14(10-12(2)19-21)15-17-18-16(20(15)3)22-11-13-8-6-5-7-9-13/h5-10H,4,11H2,1-3H3
InChIKey ZEOHAXJLFVHQQK-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 74-76C
Molecular Weight 313.43
Solvent CDCl3; Reference=TMS; Temperature 297K