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

*Links on SpectraBase are not permalinks.

2-[2-[2,5-Dimethyl-1-(4-trifluoromethoxy)-phenyl]-1H-pyrrol-3-yl]-2-oxoethyl]-1,1-dioxo-1,2-dihydro-1-lambda(6)-benzo-[D]-isothiazol-3-one

View entire compound with spectra: 2 NMR

2-[2-[2,5-Dimethyl-1-(4-trifluoromethoxy)-phenyl]-1H-pyrrol-3-yl]-2-oxoethyl]-1,1-dioxo-1,2-dihydro-1-lambda(6)-benzo-[D]-isothiazol-3-one
SpectraBase Compound ID GJKsgohsjBX
InChI InChI=1S/C22H17F3N2O5S/c1-13-11-18(14(2)27(13)15-7-9-16(10-8-15)32-22(23,24)25)19(28)12-26-21(29)17-5-3-4-6-20(17)33(26,30)31/h3-11H,12H2,1-2H3
InChIKey NVTJFQSBMCEMGS-UHFFFAOYSA-N
Mol Weight 478.44 g/mol
Molecular Formula C22H17F3N2O5S
Exact Mass 478.081027 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C 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 KoCIcPg59gz
Name 2-[2-[2,5-Dimethyl-1-(4-trifluoromethoxy)-phenyl]-1H-pyrrol-3-yl]-2-oxoethyl]-1,1-dioxo-1,2-dihydro-1-lambda(6)-benzo-[D]-isothiazol-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.081027313 u
Formula C22H17F3N2O5S
InChI InChI=1S/C22H17F3N2O5S/c1-13-11-18(14(2)27(13)15-7-9-16(10-8-15)32-22(23,24)25)19(28)12-26-21(29)17-5-3-4-6-20(17)33(26,30)31/h3-11H,12H2,1-2H3
InChIKey NVTJFQSBMCEMGS-UHFFFAOYSA-N
Molecular Weight 478.442 g/mol
SMILES C=1(N(C(=CC1C(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O)C)C1=CC=C(C=C1)OC(F)(F)F)C