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

*Links on SpectraBase are not permalinks.

1-{alpha-[(4-Chloro-2,5-xylyl)sulfonyl]-p-tolyl}-3-(2,6-difluorobenzoyl)urea

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

1-{alpha-[(4-Chloro-2,5-xylyl)sulfonyl]-p-tolyl}-3-(2,6-difluorobenzoyl)urea
SpectraBase Compound ID Ax1oVchTjoJ
InChI InChI=1S/C23H19ClF2N2O4S/c1-13-11-20(14(2)10-17(13)24)33(31,32)12-15-6-8-16(9-7-15)27-23(30)28-22(29)21-18(25)4-3-5-19(21)26/h3-11H,12H2,1-2H3,(H2,27,28,29,30)
InChIKey MWSZQZVATMNXSR-UHFFFAOYSA-N
Mol Weight 492.92 g/mol
Molecular Formula C23H19ClF2N2O4S
Exact Mass 492.072212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID 5g3OUDnescr
Name 1-{alpha-[(4-Chloro-2,5-xylyl)sulfonyl]-p-tolyl}-3-(2,6-difluorobenzoyl)urea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.072212296 u
Formula C23H19ClF2N2O4S
InChI InChI=1S/C23H19ClF2N2O4S/c1-13-11-20(14(2)10-17(13)24)33(31,32)12-15-6-8-16(9-7-15)27-23(30)28-22(29)21-18(25)4-3-5-19(21)26/h3-11H,12H2,1-2H3,(H2,27,28,29,30)
InChIKey MWSZQZVATMNXSR-UHFFFAOYSA-N
Molecular Weight 492.925 g/mol
SMILES N(C(C1=C(C=CC=C1F)F)=O)C(NC=1C=CC(=CC1)CS(=O)(=O)C=1C(=CC(=C(C1)C)Cl)C)=O