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ACETIC-ACID-COMPLEX
SpectraBase Compound ID BtNqZNMjM2H
InChI InChI=1S/C16H36N.C6H11O6/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-4(7)9-13-11-6(3)12-14-10-5(2)8/h5-16H2,1-4H3;1-3H3/q+1;-1
InChIKey CTQZSFHUJSDGEJ-UHFFFAOYSA-N
Mol Weight 421.6 g/mol
Molecular Formula C22H47NO6
Exact Mass 421.340338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8LKdJ1pV22T
Name ACETIC-ACID-COMPLEX
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H47NO6
InChI InChI=1S/C16H36N.C6H11O6/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-4(7)9-13-11-6(3)12-14-10-5(2)8/h5-16H2,1-4H3;1-3H3/q+1;-1
InChIKey CTQZSFHUJSDGEJ-UHFFFAOYSA-N
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 421.618 g/mol
Sample ID 31317
Solvent CDF3:CDF2Cl=15:1