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ETHYL-2-[4-ETHOXY-6-(PYRROLIDIN-1-YL)-PYRIMIDIN-2-YLTHIO]-OCTANOATE
SpectraBase Compound ID F0SDfpbyB2A
InChI InChI=1S/C20H33N3O3S/c1-4-7-8-9-12-16(19(24)26-6-3)27-20-21-17(23-13-10-11-14-23)15-18(22-20)25-5-2/h15-16H,4-14H2,1-3H3
InChIKey JMCGGQSDRSJWGR-UHFFFAOYSA-N
Mol Weight 395.6 g/mol
Molecular Formula C20H33N3O3S
Exact Mass 395.224263 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1qTfVtBlzul
Name ETHYL-2-[4-ETHOXY-6-(PYRROLIDIN-1-YL)-PYRIMIDIN-2-YLTHIO]-OCTANOATE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H33N3O3S
InChI InChI=1S/C20H33N3O3S/c1-4-7-8-9-12-16(19(24)26-6-3)27-20-21-17(23-13-10-11-14-23)15-18(22-20)25-5-2/h15-16H,4-14H2,1-3H3
InChIKey JMCGGQSDRSJWGR-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 395.560 g/mol
Sample ID 465
Solvent CD3OD