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3-(5-chlorobenzo[b]thien-3-yl)-4-methyl-5-{[p-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

3-(5-chlorobenzo[b]thien-3-yl)-4-methyl-5-{[p-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole
SpectraBase Compound ID 2DRj5t0mJUY
InChI InChI=1S/C19H13ClF3N3S2/c1-26-17(15-10-27-16-7-6-13(20)8-14(15)16)24-25-18(26)28-9-11-2-4-12(5-3-11)19(21,22)23/h2-8,10H,9H2,1H3
InChIKey WTMFWRYBZJXFSR-UHFFFAOYSA-N
Mol Weight 439.9 g/mol
Molecular Formula C19H13ClF3N3S2
Exact Mass 439.019152 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DZl5iLLW2oj
Name 3-(5-CHLOROBENZO[b]THIEN-3-YL)-4-METHYL-5-{[p-(TRIFLUOROMETHYL)BENZYL]THIO}-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 C19H13ClF3N3S2
InChI InChI=1S/C19H13ClF3N3S2/c1-26-17(15-10-27-16-7-6-13(20)8-14(15)16)24-25-18(26)28-9-11-2-4-12(5-3-11)19(21,22)23/h2-8,10H,9H2,1H3
InChIKey WTMFWRYBZJXFSR-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 145-147C
Molecular Weight 439.91
Solvent CDCl3; Reference=TMS; Temperature 297K