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2-[(2,3,4,5,6-pentamethylbenzyl)thio]-N-(p-phenoxyphenyl)succinimide

View entire compound with spectra: 2 NMR

2-[(2,3,4,5,6-pentamethylbenzyl)thio]-N-(p-phenoxyphenyl)succinimide
SpectraBase Compound ID 75pBIkEe1WC
InChI InChI=1S/C28H29NO3S/c1-17-18(2)20(4)25(21(5)19(17)3)16-33-26-15-27(30)29(28(26)31)22-11-13-24(14-12-22)32-23-9-7-6-8-10-23/h6-14,26H,15-16H2,1-5H3
InChIKey KRFHOVTWVYKFPV-UHFFFAOYSA-N
Mol Weight 459.6 g/mol
Molecular Formula C28H29NO3S
Exact Mass 459.186815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 23c0MM7rmzy
Name 2-[(2,3,4,5,6-Pentamethylbenzyl)thio]-N-(p-phenoxyphenyl)succinimide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 459.186814969 u
Formula C28H29NO3S
InChI InChI=1S/C28H29NO3S/c1-17-18(2)20(4)25(21(5)19(17)3)16-33-26-15-27(30)29(28(26)31)22-11-13-24(14-12-22)32-23-9-7-6-8-10-23/h6-14,26H,15-16H2,1-5H3
InChIKey KRFHOVTWVYKFPV-UHFFFAOYSA-N
Molecular Weight 459.604 g/mol
SMILES C=1(C(=C(C(=C(C1C)C)C)C)CSC1C(N(C(C1)=O)C=1C=CC(=CC1)OC=1C=CC=CC1)=O)C