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N-benzoyl-N-(phenylsulfonyl)-2-(benzyloxy)-p-benzoquinone diimine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N-benzoyl-N-(phenylsulfonyl)-2-(benzyloxy)-p-benzoquinone diimine
SpectraBase Compound ID 5foRUVrVetp
InChI InChI=1S/C26H20N2O4S/c29-26(21-12-6-2-7-13-21)27-22-16-17-24(28-33(30,31)23-14-8-3-9-15-23)25(18-22)32-19-20-10-4-1-5-11-20/h1-18H,19H2/b27-22+,28-24+
InChIKey MAZSHKFZPMXIED-AYRKRVDJSA-N
Mol Weight 456.52 g/mol
Molecular Formula C26H20N2O4S
Exact Mass 456.114378 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LT6hU7TQ13Z
Name N-Benzoyl-N-(phenylsulfonyl)-2-(benzyloxy)-p-benzoquinone diimine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.114378302 u
Formula C26H20N2O4S
InChI InChI=1S/C26H20N2O4S/c29-26(21-12-6-2-7-13-21)27-22-16-17-24(28-33(30,31)23-14-8-3-9-15-23)25(18-22)32-19-20-10-4-1-5-11-20/h1-18H,19H2/b27-22+,28-24+
InChIKey MAZSHKFZPMXIED-AYRKRVDJSA-N
Molecular Weight 456.516 g/mol
SMILES C=1(\C(=N\S(=O)(=O)C2=CC=CC=C2)C=C\C(C1)=N\C(=O)C1=CC=CC=C1)OCC1=CC=CC=C1