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ETHYL-2-(4-[(4-CHLORO-BUTYL)-(METHYL)-AMINO)-6-ETHOXY-PYRROLIDIN-2-YLTHIO]-OCTANOATE
SpectraBase Compound ID Hfr6ZODX67P
InChI InChI=1S/C21H36ClN3O3S/c1-5-8-9-10-13-17(20(26)28-7-3)29-21-23-18(16-19(24-21)27-6-2)25(4)15-12-11-14-22/h16-17H,5-15H2,1-4H3
InChIKey MTUWNFNOKLRHID-UHFFFAOYSA-N
Mol Weight 446.1 g/mol
Molecular Formula C21H36ClN3O3S
Exact Mass 445.216591 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7xC2ugDv25V
Name ETHYL-2-(4-[(4-CHLORO-BUTYL)-(METHYL)-AMINO)-6-ETHOXY-PYRROLIDIN-2-YLTHIO]-OCTANOATE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H36ClN3O3S
InChI InChI=1S/C21H36ClN3O3S/c1-5-8-9-10-13-17(20(26)28-7-3)29-21-23-18(16-19(24-21)27-6-2)25(4)15-12-11-14-22/h16-17H,5-15H2,1-4H3
InChIKey MTUWNFNOKLRHID-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 446.048 g/mol
Sample ID 466
Solvent CD3OD