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3-(METHYLTHIOUREIDO)METHYLENE-BIS-PHOSPHONIC ACID, DISODIUM SALT(TAUTOMER 1)
SpectraBase Compound ID 49R9bUs7NbN
InChI InChI=1S/C3H10N2O6P2S.2Na/c1-4-2(14)5-3(12(6,7)8)13(9,10)11;;/h3H,1H3,(H2,4,5,14)(H2,6,7,8)(H2,9,10,11);;/q;2*+1/p-2
InChIKey UFUOOWSNBUXKSV-UHFFFAOYSA-L
Mol Weight 308.09206256 g/mol
Molecular Formula C3H8N2Na2O6P2S
Exact Mass 307.93737 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3IyDoaY2mBU
Name 3-(METHYLTHIOUREIDO)METHYLENE-BIS-PHOSPHONIC ACID, DISODIUM SALT(TAUTOMER 2)
Comments , PH=11-12;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C3H8N2Na2O6P2S
InChI InChI=1S/C3H10N2O6P2S.2Na/c1-4-2(14)5-3(12(6,7)8)13(9,10)11;;/h3H,1H3,(H2,4,5,14)(H2,6,7,8)(H2,9,10,11);;/q;2*+1/p-2
InChIKey UFUOOWSNBUXKSV-UHFFFAOYSA-L
Instrument Name SEE COMMENT
Literature Reference A.L.CHUIKO, L.P.FILONENKO, A.N.BORISEVICH, M.O.LOZINSKY (1991)Zhurn.Obsch.Khim.(Russ. Lang.): v.61, N11, 2552-2557.
NMR Standard H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O deuterium oxide