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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) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KInFzpNf1sn
Name 8-CHLORO-1-[(p-CHLOROPHENYL)SULFONYL]-2,3-DIHYDRO-5-HYDROXY-1H-1-BENZAZEPINE-4-CARBONITRILE, p-TOLUENESULFONATE (ESTER)
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 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 BRUKER AC-300
Molecular Weight 549.46
Solvent CDCl3; Reference=TMS; Temperature 297K