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thio-p-toluenesulfonic acid, S,S'-ethylene ester

View entire compound with spectra: 4 NMR, 3 FTIR, and 1 Raman

thio-p-toluenesulfonic acid, S,S'-ethylene ester
SpectraBase Compound ID DURkX1AZCCK
InChI InChI=1S/C16H18O4S4/c1-13-3-7-15(8-4-13)23(17,18)21-11-12-22-24(19,20)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChIKey DUFUGAKEFZRFEQ-UHFFFAOYSA-N
Mol Weight 402.6 g/mol
Molecular Formula C16H18O4S4
Exact Mass 402.008794 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HLbBWPsjoIH
Name THIO-p-TOLUENESULFONIC ACID, S,S'-ETHYLENE ESTER
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 2225-23-2
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O4S4
InChI InChI=1S/C16H18O4S4/c1-13-3-7-15(8-4-13)23(17,18)21-11-12-22-24(19,20)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChIKey DUFUGAKEFZRFEQ-UHFFFAOYSA-N
Melting Point 70-72C
Molecular Weight 402.58
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms P-TOLUENESULFONIC ACID, THIO-, S,S'-ETHYLENE ESTER