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ETHYL-2-[4-CHLORO-6-(2,3-DIMETHYLPHENYLAMINO)-PYRIMIDIN-2-YLTHIO]-OCTANOATE

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ETHYL-2-[4-CHLORO-6-(2,3-DIMETHYLPHENYLAMINO)-PYRIMIDIN-2-YLTHIO]-OCTANOATE
SpectraBase Compound ID 5GayUnMH9uj
InChI InChI=1S/C22H30ClN3O2S/c1-5-7-8-9-13-18(21(27)28-6-2)29-22-25-19(23)14-20(26-22)24-17-12-10-11-15(3)16(17)4/h10-12,14,18H,5-9,13H2,1-4H3,(H,24,25,26)
InChIKey GJJDMFOJAUUPSS-UHFFFAOYSA-N
Mol Weight 436.01 g/mol
Molecular Formula C22H30ClN3O2S
Exact Mass 435.174726 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E6MMy5KLbXT
Name ETHYL-2-[4-CHLORO-6-(2,3-DIMETHYLPHENYLAMINO)-PYRIMIDIN-2-YLTHIO]-OCTANOATE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30ClN3O2S
InChI InChI=1S/C22H30ClN3O2S/c1-5-7-8-9-13-18(21(27)28-6-2)29-22-25-19(23)14-20(26-22)24-17-12-10-11-15(3)16(17)4/h10-12,14,18H,5-9,13H2,1-4H3,(H,24,25,26)
InChIKey GJJDMFOJAUUPSS-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 436.012 g/mol
Sample ID 462
Solvent CD3OD