For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3Cyj7vWiSJs
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
Copyright Copyright © 2009-2024 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
Instrument Name Varian CFT-20
Sadtler NMR Number 48727M
Solvent CDCl3