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2-(3-PHENYLTHIOUREIDO)-3-THIOMORPHOLINO-PROPANOIC-ACID
SpectraBase Compound ID IC4peIA8iHA
InChI InChI=1S/C14H19N3O2S2/c18-13(19)12(10-17-6-8-21-9-7-17)16-14(20)15-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,18,19)(H2,15,16,20)
InChIKey FYOKGOUPPOAWFD-UHFFFAOYSA-N
Mol Weight 325.45 g/mol
Molecular Formula C14H19N3O2S2
Exact Mass 325.091869 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9yJINkrzCWf
Name 2-(3-PHENYLTHIOUREIDO)-3-THIOMORPHOLINO-PROPANOIC-ACID
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H19N3O2S2
InChI InChI=1S/C14H19N3O2S2/c18-13(19)12(10-17-6-8-21-9-7-17)16-14(20)15-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,18,19)(H2,15,16,20)
InChIKey FYOKGOUPPOAWFD-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 325.444 g/mol
Sample ID 3222
Solvent DMSO-D6