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(2-[3-(DIETHYLAMINO)-5-(2,3-DIMETHYLPHENYLAMINO)-PHENYLTHIO]-OCTANOIC-ACID

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(2-[3-(DIETHYLAMINO)-5-(2,3-DIMETHYLPHENYLAMINO)-PHENYLTHIO]-OCTANOIC-ACID
SpectraBase Compound ID LYG5Xf2iPS5
InChI InChI=1S/C24H36N4O2S/c1-6-9-10-11-15-20(23(29)30)31-24-26-21(16-22(27-24)28(7-2)8-3)25-19-14-12-13-17(4)18(19)5/h12-14,16,20H,6-11,15H2,1-5H3,(H,29,30)(H,25,26,27)
InChIKey NMHKONCFBOSDCJ-UHFFFAOYSA-N
Mol Weight 444.6 g/mol
Molecular Formula C24H36N4O2S
Exact Mass 444.255898 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DT8tbgNrHRJ
Name (2-[3-(DIETHYLAMINO)-5-(2,3-DIMETHYLPHENYLAMINO)-PHENYLTHIO]-OCTANOIC-ACID
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H36N4O2S
InChI InChI=1S/C24H36N4O2S/c1-6-9-10-11-15-20(23(29)30)31-24-26-21(16-22(27-24)28(7-2)8-3)25-19-14-12-13-17(4)18(19)5/h12-14,16,20H,6-11,15H2,1-5H3,(H,29,30)(H,25,26,27)
InChIKey NMHKONCFBOSDCJ-UHFFFAOYSA-N
Literature Reference Author M.GABLER,M.SCHUBERT-ZSILAVECZ
Literature Reference Citation MOLECULES,16,10013(2011)
Literature Reference DOI 10.3390/molecules161210013
Molecular Weight 444.635 g/mol
Sample ID 463
Solvent CD3OD