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1-{[3-(p-CHLOROPHENYL)-1-METHYL-5-(METHYLTHIO)PYRAZOL-4-YL]CARBONYL}-3-(6-CHLORO-alpha,alpha,alpha-TRIFLUORO-m-TOLYL)UREA

View entire compound with spectra: 2 NMR, and 1 FTIR

1-{[3-(p-CHLOROPHENYL)-1-METHYL-5-(METHYLTHIO)PYRAZOL-4-YL]CARBONYL}-3-(6-CHLORO-alpha,alpha,alpha-TRIFLUORO-m-TOLYL)UREA
SpectraBase Compound ID ADZMqzdUH95
InChI InChI=1S/C20H15Cl2F3N4O2S/c1-29-18(32-2)15(16(28-29)10-3-6-12(21)7-4-10)17(30)27-19(31)26-14-9-11(20(23,24)25)5-8-13(14)22/h3-9H,1-2H3,(H2,26,27,30,31)
InChIKey IQBAUSBETYEDJZ-UHFFFAOYSA-N
Mol Weight 503.33 g/mol
Molecular Formula C20H15Cl2F3N4O2S
Exact Mass 502.024487 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GzLJRWmxKo7
Name 1-{[3-(p-CHLOROPHENYL)-1-METHYL-5-(METHYLTHIO)PYRAZOL-4-YL]CARBONYL}-3-(6-CHLORO-alpha,alpha,alpha-TRIFLUORO-m-TOLYL)UREA
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15Cl2F3N4O2S
InChI InChI=1S/C20H15Cl2F3N4O2S/c1-29-18(32-2)15(16(28-29)10-3-6-12(21)7-4-10)17(30)27-19(31)26-14-9-11(20(23,24)25)5-8-13(14)22/h3-9H,1-2H3,(H2,26,27,30,31)
InChIKey IQBAUSBETYEDJZ-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 167.5-169.5C
Molecular Weight 503.33
Solvent DMSO-d6; Reference=TMS; Temperature 297K