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Sodium-1-hydroxy-3-oxo-4,4-dimethylheptane-1,1-diphosphonate, monohydrate
SpectraBase Compound ID HhnrFu7xaEH
InChI InChI=1S/C9H20O8P2.4Na.H2O/c1-4-5-8(2,3)7(10)6-9(11,18(12,13)14)19(15,16)17;;;;;/h11H,4-6H2,1-3H3,(H2,12,13,14)(H2,15,16,17);;;;;1H2/q;4*+1;/p-4
InChIKey XRUQGILYZJSCJR-UHFFFAOYSA-J
Mol Weight 424.14060113 g/mol
Molecular Formula C9H18Na4O9P2
Exact Mass 424.001683 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID E6qckVcWxKL
Name Sodium-1-hydroxy-3-oxo-4,4-dimethylheptane-1,1-diphosphonate, monohydrate
Source of Sample Henkel, Duesseldorf
Appearance White powder
Comments Software: Lab Control Spectacle/Spectrafile-IR
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H18Na4O9P2
Hummel Decimal Number 93283
InChI InChI=1S/C9H20O8P2.4Na.H2O/c1-4-5-8(2,3)7(10)6-9(11,18(12,13)14)19(15,16)17;;;;;/h11H,4-6H2,1-3H3,(H2,12,13,14)(H2,15,16,17);;;;;1H2/q;4*+1;/p-4
InChIKey XRUQGILYZJSCJR-UHFFFAOYSA-J
Literature Reference H. Blum, Z. Naturforsch. 43B (1988) 75-81
Sample Description Metal-Complexing agent
Synonyms 1-Hydroxy-3-oxo-4, 4-Dimethylheptane-1, 1-Diphosphonate, Na salt
Technique KBr, water subtracted