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

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8-chloro-1-[(p-chlorophenyl)sulfonyl]-2,3-dihydro-5-hydroxy-1H-1-benzazepine-4-carbonitrile, p-toluenesulfonate (ester)
SpectraBase Compound ID 2VNaVFq9lo3
InChI InChI=1S/C24H18Cl2N2O5S2/c1-16-2-7-21(8-3-16)35(31,32)33-24-17(15-27)12-13-28(23-14-19(26)6-11-22(23)24)34(29,30)20-9-4-18(25)5-10-20/h2-11,14H,12-13H2,1H3
InChIKey JYYKTXSMSHQMSK-UHFFFAOYSA-N
Mol Weight 549.44 g/mol
Molecular Formula C24H18Cl2N2O5S2
Exact Mass 548.003419 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BXQt7OVT35r
Name 8-chloro-1-[(p-chlorophenyl)sulfonyl]-2,3-dihydro-5-hydroxy-1H-1-benzazepine-4-carbonitrile, p-toluenesulfonate (ester)
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18Cl2N2O5S2
InChI InChI=1S/C24H18Cl2N2O5S2/c1-16-2-7-21(8-3-16)35(31,32)33-24-17(15-27)12-13-28(23-14-19(26)6-11-22(23)24)34(29,30)20-9-4-18(25)5-10-20/h2-11,14H,12-13H2,1H3
InChIKey JYYKTXSMSHQMSK-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 60986M
Solvent CDCl3