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3-[4-(2-dimethylazaniumylethyl)-2,6-diiodophenoxy]propyl-dimethylazanium; 2,2,2-trifluoroacetate
SpectraBase Compound ID KsMfsGuZuwQ
InChI InChI=1S/C15H24I2N2O.2C2HF3O2/c1-18(2)7-5-9-20-15-13(16)10-12(11-14(15)17)6-8-19(3)4;2*3-2(4,5)1(6)7/h10-11H,5-9H2,1-4H3;2*(H,6,7)
InChIKey OKTZNGZNBYSZGN-UHFFFAOYSA-N
Mol Weight 730.225 g/mol
Molecular Formula C19H26F6I2N2O5
Exact Mass 729.983531 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3FAZZS72JCj
Name 3-[4-(2-dimethylazaniumylethyl)-2,6-diiodophenoxy]propyl-dimethylazanium; 2,2,2-trifluoroacetate
Compound Number 1P
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H26F6I2N2O5
InChI InChI=1S/C15H24I2N2O.2C2HF3O2/c1-18(2)7-5-9-20-15-13(16)10-12(11-14(15)17)6-8-19(3)4;2*3-2(4,5)1(6)7/h10-11H,5-9H2,1-4H3;2*(H,6,7)
InChIKey OKTZNGZNBYSZGN-UHFFFAOYSA-N
Literature Reference Author M.DIOP,A.SAMB,V.COSTANTINO,E.FATTORUSSO,A.MANGONI
Literature Reference Citation J.NAT.PROD.,59,271(1996)
Literature Reference DOI 10.1021/np960053n
Molecular Weight 730.225 g/mol
Solvent CD3OD
Source File Reference UWVP2334