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3-(PHENYLTHIOUREIDO)METHYLENE-BIS-PHOSPHONIC ACID, DISODIUM SALT(TAUTOMER 1)
SpectraBase Compound ID FiZGasZwMtb
InChI InChI=1S/C8H12N2O6P2S.2Na/c11-17(12,13)8(18(14,15)16)10-7(19)9-6-4-2-1-3-5-6;;/h1-5,8H,(H2,9,10,19)(H2,11,12,13)(H2,14,15,16);;/q;2*+1/p-2
InChIKey YQICFUTYSBGFNK-UHFFFAOYSA-L
Mol Weight 370.16306256 g/mol
Molecular Formula C8H10N2Na2O6P2S
Exact Mass 369.95302 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3309FX91geO
Name 3-(PHENYLTHIOUREIDO)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 C8H10N2Na2O6P2S
InChI InChI=1S/C8H12N2O6P2S.2Na/c11-17(12,13)8(18(14,15)16)10-7(19)9-6-4-2-1-3-5-6;;/h1-5,8H,(H2,9,10,19)(H2,11,12,13)(H2,14,15,16);;/q;2*+1/p-2
InChIKey YQICFUTYSBGFNK-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