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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

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2idT4WB5y0P
Name 8-chloro-1-[(p-chlorophenyl)sulfonyl]-2,3-dihydro-5-hydroxy-1H-1-benzazepine-4-carbonitrile, 2-chloro-6-fluorobenzoate (ester)
Copyright Copyright © 2009-2024 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
Instrument Name Varian CFT-20
Sadtler NMR Number 60985M
Solvent CDCl3