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1-[2-(1,3-BENZODIOXOL-5-YL)-ETHYL]-1,1-DIMETHYLHYDRAZINIUM-2,4,6-TRIMETHYLBENZENESULFONATE

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1-[2-(1,3-BENZODIOXOL-5-YL)-ETHYL]-1,1-DIMETHYLHYDRAZINIUM-2,4,6-TRIMETHYLBENZENESULFONATE
SpectraBase Compound ID cTiWH9AQlw
InChI InChI=1S/C11H17N2O2.C9H12O3S/c1-13(2,12)6-5-9-3-4-10-11(7-9)15-8-14-10;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h3-4,7H,5-6,8,12H2,1-2H3;4-5H,1-3H3,(H,10,11,12)/q+1;/p-1
InChIKey CKPWFFCFXJJQAY-UHFFFAOYSA-M
Mol Weight 408.51 g/mol
Molecular Formula C20H28N2O5S
Exact Mass 408.171893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9BY7iGvFEs3
Name 1-[2-(1,3-BENZODIOXOL-5-YL)-ETHYL]-1,1-DIMETHYLHYDRAZINIUM-2,4,6-TRIMETHYLBENZENESULFONATE
Compound Number 8
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28N2O5S
InChI InChI=1S/C11H17N2O2.C9H12O3S/c1-13(2,12)6-5-9-3-4-10-11(7-9)15-8-14-10;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h3-4,7H,5-6,8,12H2,1-2H3;4-5H,1-3H3,(H,10,11,12)/q+1;/p-1
InChIKey CKPWFFCFXJJQAY-UHFFFAOYSA-M
Literature Reference Author B.CAPUANO,I.T.CROSBY,E.J.LLOYD,J.E.NEVE,D.A.TAYLOR
Literature Reference Citation AUSTR.J.CHEM.,61,422(2008)
Literature Reference DOI 10.1071/ch08060
Molecular Weight 408.513 g/mol
Sample ID 40513
Solvent CD3OD