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2,2'-dithiobis[N-[4-(1,1-dimethylethyl)phenyl]benzamide]

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

2,2'-dithiobis[N-[4-(1,1-dimethylethyl)phenyl]benzamide]
SpectraBase Compound ID DAFa8mZZAod
InChI InChI=1S/C34H36N2O2S2/c1-33(2,3)23-15-19-25(20-16-23)35-31(37)27-11-7-9-13-29(27)39-40-30-14-10-8-12-28(30)32(38)36-26-21-17-24(18-22-26)34(4,5)6/h7-22H,1-6H3,(H,35,37)(H,36,38)
InChIKey QCMZWVDOQIKYNH-UHFFFAOYSA-N
Mol Weight 568.8 g/mol
Molecular Formula C34H36N2O2S2
Exact Mass 568.221821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LMeLDLvPYU7
Name 2,2'-Dithiobis[N-[4-(1,1-dimethylethyl)phenyl]benzamide]
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 568.221820753 u
Formula C34H36N2O2S2
InChI InChI=1S/C34H36N2O2S2/c1-33(2,3)23-15-19-25(20-16-23)35-31(37)27-11-7-9-13-29(27)39-40-30-14-10-8-12-28(30)32(38)36-26-21-17-24(18-22-26)34(4,5)6/h7-22H,1-6H3,(H,35,37)(H,36,38)
InChIKey QCMZWVDOQIKYNH-UHFFFAOYSA-N
Molecular Weight 568.794 g/mol
SMILES C(C1=C(SSC2=C(C(NC3=CC=C(C(C)(C)C)C=C3)=O)C=CC=C2)C=CC=C1)(NC=1C=CC(C(C)(C)C)=CC1)=O