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5,6-Dimethyl-4,7-diphenyl-2-p-toluenesulfonylisoindoline

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

5,6-Dimethyl-4,7-diphenyl-2-p-toluenesulfonylisoindoline
SpectraBase Compound ID BeNdiQWj262
InChI InChI=1S/C29H27NO2S/c1-20-14-16-25(17-15-20)33(31,32)30-18-26-27(19-30)29(24-12-8-5-9-13-24)22(3)21(2)28(26)23-10-6-4-7-11-23/h4-17H,18-19H2,1-3H3
InChIKey SRVSKZMTXNZZNN-UHFFFAOYSA-N
Mol Weight 453.6 g/mol
Molecular Formula C29H27NO2S
Exact Mass 453.17625 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KFn0cmEDK7d
Name 5,6-Dimethyl-4,7-diphenyl-2-p-toluenesulfonylisoindoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.176250285 u
Formula C29H27NO2S
InChI InChI=1S/C29H27NO2S/c1-20-14-16-25(17-15-20)33(31,32)30-18-26-27(19-30)29(24-12-8-5-9-13-24)22(3)21(2)28(26)23-10-6-4-7-11-23/h4-17H,18-19H2,1-3H3
InChIKey SRVSKZMTXNZZNN-UHFFFAOYSA-N
Molecular Weight 453.600 g/mol
SMILES C1N(S(C=2C=CC(=CC2)C)(=O)=O)CC=2C(=C(C(=C(C12)C=1C=CC=CC1)C)C)C1=CC=CC=C1