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3-(PYRIDIN-3-YL)-5-(PYROLIDIN-1-YLMETHYL)-2-THIOHYDANTOIN-DIHYDROCHLORIDE
SpectraBase Compound ID GiY2jO4gKSD
InChI InChI=1S/C13H16N4OS.2ClH/c18-12-11(9-16-6-1-2-7-16)15-13(19)17(12)10-4-3-5-14-8-10;;/h3-5,8,11H,1-2,6-7,9H2,(H,15,19);2*1H
InChIKey IRQYZMGBVIWUIB-UHFFFAOYSA-N
Mol Weight 349.28 g/mol
Molecular Formula C13H18Cl2N4OS
Exact Mass 348.057838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4iNEqppOCyC
Name 3-(PYRIDIN-3-YL)-5-(PYROLIDIN-1-YLMETHYL)-2-THIOHYDANTOIN-DIHYDROCHLORIDE
Compound Number 3K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18Cl2N4OS
InChI InChI=1S/C13H16N4OS.2ClH/c18-12-11(9-16-6-1-2-7-16)15-13(19)17(12)10-4-3-5-14-8-10;;/h3-5,8,11H,1-2,6-7,9H2,(H,15,19);2*1H
InChIKey IRQYZMGBVIWUIB-UHFFFAOYSA-N
Literature Reference Author F.FUJISAKI,K.SHOJI,K.SUMOTO
Literature Reference Citation CHEM.PHARM.BULL.,57,1415(2009)
Literature Reference DOI 10.1248/cpb.57.1415
Molecular Weight 349.278 g/mol
Sample ID 3239
Solvent CD3OD