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

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8-chloro-1-[(p-chlorophenyl)sulfonyl]-2,3-dihydro-5-hydroxy-1H-1-benzazepine-4-carbonitrile, alpha,alpha,alpha-trifluoro-m-toluate (ester)
SpectraBase Compound ID 9ck9lFUJ5CN
InChI InChI=1S/C25H15Cl2F3N2O4S/c26-18-4-7-20(8-5-18)37(34,35)32-11-10-16(14-31)23(21-9-6-19(27)13-22(21)32)36-24(33)15-2-1-3-17(12-15)25(28,29)30/h1-9,12-13H,10-11H2
InChIKey NHXVNSFJUIMBFR-UHFFFAOYSA-N
Mol Weight 567.37 g/mol
Molecular Formula C25H15Cl2F3N2O4S
Exact Mass 566.008168 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B2k5LOGQlOD
Name 8-chloro-1-[(p-chlorophenyl)sulfonyl]-2,3-dihydro-5-hydroxy-1H-1-benzazepine-4-carbonitrile, alpha,alpha,alpha-trifluoro-m-toluate (ester)
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H15Cl2F3N2O4S
InChI InChI=1S/C25H15Cl2F3N2O4S/c26-18-4-7-20(8-5-18)37(34,35)32-11-10-16(14-31)23(21-9-6-19(27)13-22(21)32)36-24(33)15-2-1-3-17(12-15)25(28,29)30/h1-9,12-13H,10-11H2
InChIKey NHXVNSFJUIMBFR-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 60984M
Solvent CDCl3