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DIETHYL-(5-AMINO-3-METHYLSULFANYL-1-PHENYL-1H-PYRAZOL-4-YL)-PHOSPHONATE
SpectraBase Compound ID DG8FiOTomW2
InChI InChI=1S/C14H20N3O3PS/c1-4-19-21(18,20-5-2)12-13(15)17(16-14(12)22-3)11-9-7-6-8-10-11/h6-10H,4-5,15H2,1-3H3
InChIKey SMCAAEUMUGPLQA-UHFFFAOYSA-N
Mol Weight 341.37 g/mol
Molecular Formula C14H20N3O3PS
Exact Mass 341.0963 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KTzLWufT1b9
Name DIETHYL-(5-AMINO-3-METHYLSULFANYL-1-PHENYL-1H-PYRAZOL-4-YL)-PHOSPHONATE
Compound Number 5.1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H20N3O3PS
InChI InChI=1S/C14H20N3O3PS/c1-4-19-21(18,20-5-2)12-13(15)17(16-14(12)22-3)11-9-7-6-8-10-11/h6-10H,4-5,15H2,1-3H3
InChIKey SMCAAEUMUGPLQA-UHFFFAOYSA-N
Literature Reference Author H.G.KRUG,R.NEIDLEIN,R.BOESE,W.KRAMER
Literature Reference Citation HETEROCYCLES,41,721(1995)
Literature Reference DOI 10.3987/COM-94-6976
Solvent CDCl3
Source File Reference UWCP6062