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1,8-Bis(4-toluene-sulfonato)-octane

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1,8-Bis(4-toluene-sulfonato)-octane
SpectraBase Compound ID 7tCDU6MBSwW
InChI InChI=1S/C22H30O6S2/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,3-8,17-18H2,1-2H3
InChIKey FAFNXRLZZFYLEX-UHFFFAOYSA-N
Mol Weight 454.6 g/mol
Molecular Formula C22H30O6S2
Exact Mass 454.148381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 178HUD9jvZo
Name 1,8-Bis(4-toluene-sulfonato)-octane
CAS Registry Number 36247-32-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H30O6S2
InChI InChI=1S/C22H30O6S2/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,3-8,17-18H2,1-2H3
InChIKey FAFNXRLZZFYLEX-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference D.H. Bush, D.J. Olszanski, J.C. Stevens, J. Am. Chem. Soc. 103, 1472 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD3CN