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4-methyl-3-[(p-methylbenzyl)thio]-5-(3-thenyl)-4H-1,2,4-triazole

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

4-methyl-3-[(p-methylbenzyl)thio]-5-(3-thenyl)-4H-1,2,4-triazole
SpectraBase Compound ID G52rDY2lkin
InChI InChI=1S/C16H17N3S2/c1-12-3-5-13(6-4-12)11-21-16-18-17-15(19(16)2)9-14-7-8-20-10-14/h3-8,10H,9,11H2,1-2H3
InChIKey PNUUHXCYDOKBBW-UHFFFAOYSA-N
Mol Weight 315.45 g/mol
Molecular Formula C16H17N3S2
Exact Mass 315.08639 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KREqXe44aSk
Name 4-METHYL-3-[(p-METHYLBENZYL)THIO]-5-(3-THENYL)-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 C16H17N3S2
InChI InChI=1S/C16H17N3S2/c1-12-3-5-13(6-4-12)11-21-16-18-17-15(19(16)2)9-14-7-8-20-10-14/h3-8,10H,9,11H2,1-2H3
InChIKey PNUUHXCYDOKBBW-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 119-121C
Molecular Weight 315.46
Solvent CDCl3; Reference=TMS; Temperature 297K