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N,N'-(PROPANE-1,3-DIYL)-BIS-[3-(TRIPHENYLMETHYLTHIO)-PROPANAMIDE]
SpectraBase Compound ID ISukSgc0Ct
InChI InChI=1S/C47H46N2O2S2/c50-44(32-36-52-46(38-20-7-1-8-21-38,39-22-9-2-10-23-39)40-24-11-3-12-25-40)48-34-19-35-49-45(51)33-37-53-47(41-26-13-4-14-27-41,42-28-15-5-16-29-42)43-30-17-6-18-31-43/h1-18,20-31H,19,32-37H2,(H,48,50)(H,49,51)
InChIKey ITAGEYIYQIKYHG-UHFFFAOYSA-N
Mol Weight 735.0 g/mol
Molecular Formula C47H46N2O2S2
Exact Mass 734.300071 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DuEaYqFNiNu
Name N,N'-(PROPANE-1,3-DIYL)-BIS-[3-(TRIPHENYLMETHYLTHIO)-PROPANAMIDE]
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H46N2O2S2
InChI InChI=1S/C47H46N2O2S2/c50-44(32-36-52-46(38-20-7-1-8-21-38,39-22-9-2-10-23-39)40-24-11-3-12-25-40)48-34-19-35-49-45(51)33-37-53-47(41-26-13-4-14-27-41,42-28-15-5-16-29-42)43-30-17-6-18-31-43/h1-18,20-31H,19,32-37H2,(H,48,50)(H,49,51)
InChIKey ITAGEYIYQIKYHG-UHFFFAOYSA-N
Literature Reference Author A.M.BRAY,D.P.KELLY,P.O.L.MACK,G.F.MARTIN,L.P.G.WAKELIN
Literature Reference Citation AUSTR.J.CHEM.,43,629(1990)
Literature Reference DOI 10.1071/ch9900629
Molecular Weight 735.014 g/mol
Solvent DMSO-D6
Source File Reference UWCS11239