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4,4'-methylenebis[thiocarbanilic acid], S,S'-dipropyl ester

View entire compound with spectra: 4 NMR, 1 FTIR, and 1 Raman

4,4'-methylenebis[thiocarbanilic acid], S,S'-dipropyl ester
SpectraBase Compound ID 5kW2fNEaNOc
InChI InChI=1S/C21H26N2O2S2/c1-3-13-26-20(24)22-18-9-5-16(6-10-18)15-17-7-11-19(12-8-17)23-21(25)27-14-4-2/h5-12H,3-4,13-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKey CUDYMQSQAMATES-UHFFFAOYSA-N
Mol Weight 402.57 g/mol
Molecular Formula C21H26N2O2S2
Exact Mass 402.14357 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2yXermXYjn6
Name 4,4'-METHYLENEBIS[THIOCARBANILIC ACID], S,S'-DIPROPYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O2S2
InChI InChI=1S/C21H26N2O2S2/c1-3-13-26-20(24)22-18-9-5-16(6-10-18)15-17-7-11-19(12-8-17)23-21(25)27-14-4-2/h5-12H,3-4,13-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKey CUDYMQSQAMATES-UHFFFAOYSA-N
Molecular Weight 402.58
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms CARBANILIC ACID, 4,4'-METHYLENEBIS/THIO-, S,S'-DIPROPYL ESTER