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(1-S,2-S)-1-AMINO-1-METHYL-2-(PYRIDIN-3-YL)-PYRROLIDINIUM-2,4,6-TRIMETHYLBENZENESULFONATE
SpectraBase Compound ID 2oHtjaiKDMP
InChI InChI=1S/C10H16N3.C9H12O3S/c1-13(11)7-3-5-10(13)9-4-2-6-12-8-9;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h2,4,6,8,10H,3,5,7,11H2,1H3;4-5H,1-3H3,(H,10,11,12)/q+1;/p-1/t10-,13?;/m1./s1
InChIKey RHNDXMLAASPXLS-HXOUFFEYSA-M
Mol Weight 377.5 g/mol
Molecular Formula C19H27N3O3S
Exact Mass 377.177313 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ktZI14qyRn
Name (1-S,2-S)-1-AMINO-1-METHYL-2-(PYRIDIN-3-YL)-PYRROLIDINIUM-2,4,6-TRIMETHYLBENZENESULFONATE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H27N3O3S
InChI InChI=1S/C10H16N3.C9H12O3S/c1-13(11)7-3-5-10(13)9-4-2-6-12-8-9;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h2,4,6,8,10H,3,5,7,11H2,1H3;4-5H,1-3H3,(H,10,11,12)/q+1;/p-1/t10-,13?;/m1./s1
InChIKey RHNDXMLAASPXLS-HXOUFFEYSA-M
Literature Reference Author B.CAPUANO,I.T.CROSBY,E.J.LLOYD,J.E.NEVE,D.A.TAYLOR
Literature Reference Citation AUSTR.J.CHEM.,61,422(2008)
Literature Reference DOI 10.1071/ch08060
Molecular Weight 377.502 g/mol
Sample ID 40524
Solvent DMSO-D6