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8-chloro-1-[(p-chlorophenyl)sulfonyl]-2,3-dihydro-5-hydroxy-1H-1-benzazepine-4-carbonitrile, 2-chloro-6-fluorobenzoate (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, 2-chloro-6-fluorobenzoate (ester)
SpectraBase Compound ID 4zpcYcwSZq0
InChI InChI=1S/C24H14Cl3FN2O4S/c25-15-4-7-17(8-5-15)35(32,33)30-11-10-14(13-29)23(18-9-6-16(26)12-21(18)30)34-24(31)22-19(27)2-1-3-20(22)28/h1-9,12H,10-11H2
InChIKey PFTZXRUAHMGKMK-UHFFFAOYSA-N
Mol Weight 551.8 g/mol
Molecular Formula C24H14Cl3FN2O4S
Exact Mass 549.972389 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 15QY0i84VY
Name 8-CHLORO-1-[(p-CHLOROPHENYL)SULFONYL]-2,3-DIHYDRO-5-HYDROXY-1H-1-BENZAZEPINE-4-CARBONITRILE, 2-CHLORO-6-FLUOROBENZOATE (ESTER)
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H14Cl3FN2O4S
InChI InChI=1S/C24H14Cl3FN2O4S/c25-15-4-7-17(8-5-15)35(32,33)30-11-10-14(13-29)23(18-9-6-16(26)12-21(18)30)34-24(31)22-19(27)2-1-3-20(22)28/h1-9,12H,10-11H2
InChIKey PFTZXRUAHMGKMK-UHFFFAOYSA-N
Molecular Weight 551.81
Technique KBr WAFER