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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)

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, 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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID ECAkGt4BucC
Name 8-CHLORO-1-[(p-CHLOROPHENYL)SULFONYL]-2,3-DIHYDRO-5-HYDROXY-1H-1-BENZAZEPINE-4-CARBONITRILE, alpha,alpha,alpha-TRIFLUORO-m-TOLUATE (ESTER)
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Copyright Copyright © 1980, 1981-2024 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
Molecular Weight 567.37
Technique KBr WAFER