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

*Links on SpectraBase are not permalinks.

8-chloro-1-[(p-chlorophenyl)sulfonyl]-2,3-dihydro-5-hydroxy-1H-1-benzazepine-4-carbonitrile, p-chlorobenzenesulfonate (ester)

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

8-chloro-1-[(p-chlorophenyl)sulfonyl]-2,3-dihydro-5-hydroxy-1H-1-benzazepine-4-carbonitrile, p-chlorobenzenesulfonate (ester)
SpectraBase Compound ID AZdGjX7VRWh
InChI InChI=1S/C23H15Cl3N2O5S2/c24-16-1-6-19(7-2-16)34(29,30)28-12-11-15(14-27)23(21-10-5-18(26)13-22(21)28)33-35(31,32)20-8-3-17(25)4-9-20/h1-10,13H,11-12H2
InChIKey RJSXTKVIFUTBDD-UHFFFAOYSA-N
Mol Weight 569.86 g/mol
Molecular Formula C23H15Cl3N2O5S2
Exact Mass 567.948797 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 6GQQjKgzecu
Name 8-chloro-1-[(p-chlorophenyl)sulfonyl]-2,3-dihydro-5-hydroxy-1H-1-benzazepine-4-carbonitrile, p-chlorobenzenesulfonate (ester)
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H15Cl3N2O5S2
InChI InChI=1S/C23H15Cl3N2O5S2/c24-16-1-6-19(7-2-16)34(29,30)28-12-11-15(14-27)23(21-10-5-18(26)13-22(21)28)33-35(31,32)20-8-3-17(25)4-9-20/h1-10,13H,11-12H2
InChIKey RJSXTKVIFUTBDD-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 60983M
Solvent DMSO-d6