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ACETIC-ACID-COMPLEX-ACETATE-ANION
SpectraBase Compound ID BYsIQQ5TIsj
InChI InChI=1S/C16H36N.C4H8O4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-3(5)7-9-8-4(2)6/h5-16H2,1-4H3;5H,1-2H3/q+1;/p-1
InChIKey PCHUEXFGVCNARV-UHFFFAOYSA-M
Mol Weight 361.57 g/mol
Molecular Formula C20H43NO4
Exact Mass 361.319209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID qRd7LxpYwM
Name ACETIC-ACID-COMPLEX-ACETATE-ANION
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H43NO4
InChI InChI=1S/C16H36N.C4H8O4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-3(5)7-9-8-4(2)6/h5-16H2,1-4H3;5H,1-2H3/q+1;/p-1
InChIKey PCHUEXFGVCNARV-UHFFFAOYSA-M
Literature Reference Author P.M.TOLSTOY,P.SCHAH-MOHAMMEDI,S.N.SMIRNOV,N.S.GOLUBEV,G.S.DE NISOV,H.H.LIMBACH
Literature Reference Citation J.AM.CHEM.SOC.,126,5621(2004)
Literature Reference DOI 10.1021/ja039280j
Molecular Weight 361.566 g/mol
Sample ID 31315
Solvent CDCl3D2O