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3-(3,3-DIMETHYLTHIOUREIDO)-1-HYDROXYPROPYLIDENE-BIS-PHOSPHONIC ACID,DISODIUM SALT
SpectraBase Compound ID KTVpU9hLDqF
InChI InChI=1S/C6H16N2O7P2S.2Na/c1-8(2)5(18)7-4-3-6(9,16(10,11)12)17(13,14)15;;/h9H,3-4H2,1-2H3,(H,7,18)(H2,10,11,12)(H2,13,14,15);;/q;2*+1/p-2
InChIKey FTXWONSZZCTRIE-UHFFFAOYSA-L
Mol Weight 366.17206256 g/mol
Molecular Formula C6H14N2Na2O7P2S
Exact Mass 365.979235 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2n24gTk0b7I
Name 3-(3,3-DIMETHYLTHIOUREIDO)-1-HYDROXYPROPYLIDENE-BIS-PHOSPHONIC ACID,DISODIUM SALT
Comments , ;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H14N2Na2O7P2S
InChI InChI=1S/C6H16N2O7P2S.2Na/c1-8(2)5(18)7-4-3-6(9,16(10,11)12)17(13,14)15;;/h9H,3-4H2,1-2H3,(H,7,18)(H2,10,11,12)(H2,13,14,15);;/q;2*+1/p-2
InChIKey FTXWONSZZCTRIE-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