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2-(3-PHENYLTHIOUREIDO)-3-(PYRROLIDIN-1-YL)-PROPANOIC-ACID
SpectraBase Compound ID C4rY1I7I4sZ
InChI InChI=1S/C14H19N3O2S/c18-13(19)12(10-17-8-4-5-9-17)16-14(20)15-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,18,19)(H2,15,16,20)
InChIKey GQROCMIYLZDGJV-UHFFFAOYSA-N
Mol Weight 293.39 g/mol
Molecular Formula C14H19N3O2S
Exact Mass 293.119798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IVox6ze1sEN
Name 2-(3-PHENYLTHIOUREIDO)-3-(PYRROLIDIN-1-YL)-PROPANOIC-ACID
Compound Number 2I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H19N3O2S
InChI InChI=1S/C14H19N3O2S/c18-13(19)12(10-17-8-4-5-9-17)16-14(20)15-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,18,19)(H2,15,16,20)
InChIKey GQROCMIYLZDGJV-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 293.384 g/mol
Sample ID 3229
Solvent DMSO-D6