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N-[4-(2-oxo-2-Phenyl-1-triphenylphosphoranylideneethyl)-4-(phenylsulphonylamino)-2,5-cyclohexadiene-1-ylidene]benzenesulphonamide

View entire compound with spectra: 2 NMR

N-[4-(2-oxo-2-Phenyl-1-triphenylphosphoranylideneethyl)-4-(phenylsulphonylamino)-2,5-cyclohexadiene-1-ylidene]benzenesulphonamide
SpectraBase Compound ID JYHfv4qt7Hm
InChI InChI=1S/C44H35N2O5PS2/c47-42(35-19-7-1-8-20-35)43(52(37-21-9-2-10-22-37,38-23-11-3-12-24-38)39-25-13-4-14-26-39)44(46-54(50,51)41-29-17-6-18-30-41)33-31-36(32-34-44)45-53(48,49)40-27-15-5-16-28-40/h1-34,46H/b45-36-
InChIKey SJAWDGDLAULXGZ-DGCBYWKDSA-N
Mol Weight 766.9 g/mol
Molecular Formula C44H35N2O5PS2
Exact Mass 766.172502 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 63xPocCI1qG
Name N-[4-(2-oxo-2-Phenyl-1-triphenylphosphoranylideneethyl)-4-(phenylsulphonylamino)-2,5-cyclohexadiene-1-ylidene]benzenesulphonamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 766.172501576 u
Formula C44H35N2O5PS2
InChI InChI=1S/C44H35N2O5PS2/c47-42(35-19-7-1-8-20-35)43(52(37-21-9-2-10-22-37,38-23-11-3-12-24-38)39-25-13-4-14-26-39)44(46-54(50,51)41-29-17-6-18-30-41)33-31-36(32-34-44)45-53(48,49)40-27-15-5-16-28-40/h1-34,46H/b45-36-
InChIKey SJAWDGDLAULXGZ-DGCBYWKDSA-N
Molecular Weight 766.867 g/mol
SMILES N(C1(C=CC(C=C1)=NS(=O)(=O)c1ccccc1)C(C(=O)c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1