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3,5-octadiyne-1,8-diol, di-p-toluenesulfonate

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

3,5-octadiyne-1,8-diol, di-p-toluenesulfonate
SpectraBase Compound ID 6IUvw5QzcyP
InChI InChI=1S/C22H22O6S2/c1-19-9-13-21(14-10-19)29(23,24)27-17-7-5-3-4-6-8-18-28-30(25,26)22-15-11-20(2)12-16-22/h9-16H,7-8,17-18H2,1-2H3
InChIKey AILBGTGGCKJLHW-UHFFFAOYSA-N
Mol Weight 446.53 g/mol
Molecular Formula C22H22O6S2
Exact Mass 446.085781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vj4wQ8jw3U
Name 3,5-OCTADIYNE-1,8-DIOL, DI-p-TOLUENESULFONATE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O6S2
InChI InChI=1S/C22H22O6S2/c1-19-9-13-21(14-10-19)29(23,24)27-17-7-5-3-4-6-8-18-28-30(25,26)22-15-11-20(2)12-16-22/h9-16H,7-8,17-18H2,1-2H3
InChIKey AILBGTGGCKJLHW-UHFFFAOYSA-N
Molecular Weight 446.55
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 3,5-OCTADIYNE-1,8-DIOL, DI-P-TOLUENESULFONATE