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[1-(13)-C]-OCTYL-PARA-TOLUENESULFONATE
SpectraBase Compound ID KtSZBLrXqiQ
InChI InChI=1S/C15H24O3S/c1-3-4-5-6-7-8-13-18-19(16,17)15-11-9-14(2)10-12-15/h9-12H,3-8,13H2,1-2H3/i13+1
InChIKey LYQJBZLAANNIER-KCKQSJSWSA-N
Mol Weight 285.41 g/mol
Molecular Formula C1413CH24O3S
Exact Mass 285.147971 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8VKm1P0G0wl
Name [1-(13)-C]-OCTYL-PARA-TOLUENESULFONATE
CAS Registry Number 362525-49-3
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C1413CH24O3S
InChI InChI=1S/C15H24O3S/c1-3-4-5-6-7-8-13-18-19(16,17)15-11-9-14(2)10-12-15/h9-12H,3-8,13H2,1-2H3/i13+1
InChIKey LYQJBZLAANNIER-KCKQSJSWSA-N
Literature Reference Author Y.SEKIYAMA,Y.FUJIMOTO,K.HASUMI,A.ENDO
Literature Reference Citation J.ORG.CHEM.,66,5649(2001)
Literature Reference DOI 10.1021/jo015614g
Molecular Weight 285.406 g/mol
Solvent CDCl3
Source File Reference UWVN24037