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[1,2-(13)-C-(2)]-NONYL-PARA-TOLUENESULFONATE
SpectraBase Compound ID IpjuN15wZdW
InChI InChI=1S/C16H26O3S/c1-3-4-5-6-7-8-9-14-19-20(17,18)16-12-10-15(2)11-13-16/h10-13H,3-9,14H2,1-2H3/i9+1,14+1
InChIKey BKUGMZHCBXZVJB-BSNZMWLKSA-N
Mol Weight 300.43 g/mol
Molecular Formula C1413C2H26O3S
Exact Mass 300.166976 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5sbouCbiu0z
Name [1,2-(13)-C-(2)]-NONYL-PARA-TOLUENESULFONATE
CAS Registry Number 362525-59-5
Compound Number 30
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C1413C2H26O3S
InChI InChI=1S/C16H26O3S/c1-3-4-5-6-7-8-9-14-19-20(17,18)16-12-10-15(2)11-13-16/h10-13H,3-9,14H2,1-2H3/i9+1,14+1
InChIKey BKUGMZHCBXZVJB-BSNZMWLKSA-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 300.425 g/mol
Solvent CDCl3
Source File Reference UWVN24042