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4-{1-[(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLYL)SULFONYL]PYRAZOL-3-YL}-3-METHYL-5-(METHYLTHIO)-2-THIOPHENECARBOXYLIC ACID, METHYL ESTER

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

4-{1-[(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLYL)SULFONYL]PYRAZOL-3-YL}-3-METHYL-5-(METHYLTHIO)-2-THIOPHENECARBOXYLIC ACID, METHYL ESTER
SpectraBase Compound ID 7p1c4bDmFJn
InChI InChI=1S/C19H14F6N2O4S3/c1-9-14(17(32-3)33-15(9)16(28)31-2)13-4-5-27(26-13)34(29,30)12-7-10(18(20,21)22)6-11(8-12)19(23,24)25/h4-8H,1-3H3
InChIKey MCCSQPGTCAPGOH-UHFFFAOYSA-N
Mol Weight 544.5 g/mol
Molecular Formula C19H14F6N2O4S3
Exact Mass 544.001989 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 5EOIvGB1uVF
Name 4-{1-[(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLYL)SULFONYL]PYRAZOL-3-YL}-3-METHYL-5-(METHYLTHIO)-2-THIOPHENECARBOXYLIC ACID, METHYL ESTER
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Catalog Number KM 2110
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14F6N2O4S3
InChI InChI=1S/C19H14F6N2O4S3/c1-9-14(17(32-3)33-15(9)16(28)31-2)13-4-5-27(26-13)34(29,30)12-7-10(18(20,21)22)6-11(8-12)19(23,24)25/h4-8H,1-3H3
InChIKey MCCSQPGTCAPGOH-UHFFFAOYSA-N
Molecular Weight 544.510986
Synonyms 2-THIOPHENECARBOXYLIC ACID, 4-/1-//A,A,A,A*,A*,A*-HEXAFLUORO- 3,5-XYLYL/SULFONYL/PYRAZOL-3-YL/- 3-METHYL-5-/METHYLTHIO/-, METHYL ESTER
Technique KBr WAFER