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6-(2,3-DIMETHYLPHENYLAMINO)-2-(1-ETHOXY-1-OXOOCTAN-2-YLTHIO)-N,N,N-TRIETHYLPYRIMIDIN-4-AMINIUM
SpectraBase Compound ID DdM9XiiWxSs
InChI InChI=1S/C28H45N4O2S/c1-8-13-14-15-19-24(27(33)34-12-5)35-28-30-25(29-23-18-16-17-21(6)22(23)7)20-26(31-28)32(9-2,10-3)11-4/h16-18,20,24H,8-15,19H2,1-7H3,(H,29,30,31)
InChIKey FTWARTCDGWZYKM-UHFFFAOYSA-N
Mol Weight 501.8 g/mol
Molecular Formula C28H45N4O2S
Exact Mass 501.326323 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6X6MS55SWkf
Name 6-(2,3-DIMETHYLPHENYLAMINO)-2-(1-ETHOXY-1-OXOOCTAN-2-YLTHIO)-N,N,N-TRIETHYLPYRIMIDIN-4-AMINIUM
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H45N4O2S
InChI InChI=1S/C28H45N4O2S/c1-8-13-14-15-19-24(27(33)34-12-5)35-28-30-25(29-23-18-16-17-21(6)22(23)7)20-26(31-28)32(9-2,10-3)11-4/h16-18,20,24H,8-15,19H2,1-7H3,(H,29,30,31)
InChIKey FTWARTCDGWZYKM-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 501.751 g/mol
Sample ID 464
Solvent CD3OD