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O-ETHYL-S-(4-CARBOXY-2-OXO-3-AZA-5-PHENYLPENTYL)METHYLDITHIOPHOSPHONATE
SpectraBase Compound ID 6j1N62HKkLY
InChI InChI=1S/C14H20NO4PS2/c1-3-19-20(2,21)22-10-13(16)15-12(14(17)18)9-11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3,(H,15,16)(H,17,18)
InChIKey JFKRJAGGSMZZJX-UHFFFAOYSA-N
Mol Weight 361.41 g/mol
Molecular Formula C14H20NO4PS2
Exact Mass 361.057137 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ITY9Rb7SqK2
Name O-ETHYL-S-(4-CARBOXY-2-OXO-3-AZA-5-PHENYLPENTYL)METHYLDITHIOPHOSPHONATE
Comments , SCALE INVERTED, C=0.5M
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H20NO4PS2
InChI InChI=1S/C14H20NO4PS2/c1-3-19-20(2,21)22-10-13(16)15-12(14(17)18)9-11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3,(H,15,16)(H,17,18)
InChIKey JFKRJAGGSMZZJX-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference M.I.KABACHNIK, T.A.MASTRYUKOVA, E.I.FEDIN, A.E.SHIPOV, M.S.VAISBERG,P.V.PETROVSKY, L.L.MOROZOV (1975) Izv.Akad.Nauk SSSR(Russ. Lang.): N3, 613-621.
NMR Standard -H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C6H6 benzene