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N-[3-(5-chloro-3-methylbenzo[b]thien-2-yl)-1-methylpyrazol-5-yl]-alpha,alpha,alpha-trifluoro-p-toluamide

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

N-[3-(5-chloro-3-methylbenzo[b]thien-2-yl)-1-methylpyrazol-5-yl]-alpha,alpha,alpha-trifluoro-p-toluamide
SpectraBase Compound ID BLJvEQp9Ak1
InChI InChI=1S/C21H15ClF3N3OS/c1-11-15-9-14(22)7-8-17(15)30-19(11)16-10-18(28(2)27-16)26-20(29)12-3-5-13(6-4-12)21(23,24)25/h3-10H,1-2H3,(H,26,29)
InChIKey DOSIRZGFPYRKHT-UHFFFAOYSA-N
Mol Weight 449.88 g/mol
Molecular Formula C21H15ClF3N3OS
Exact Mass 449.057645 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CPYwyZ8x7Um
Name N-[3-(5-CHLORO-3-METHYLBENZO[b]THIEN-2-YL)-1-METHYLPYRAZOL-5-YL]-alpha,alpha,alpha-TRIFLUORO-p-TOLUAMIDE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15ClF3N3OS
InChI InChI=1S/C21H15ClF3N3OS/c1-11-15-9-14(22)7-8-17(15)30-19(11)16-10-18(28(2)27-16)26-20(29)12-3-5-13(6-4-12)21(23,24)25/h3-10H,1-2H3,(H,26,29)
InChIKey DOSIRZGFPYRKHT-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 233-235C
Molecular Weight 449.89
Solvent Polysol; Reference=TMS; Temperature 297K