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HYDRACRYLONITRILE, DIHYDROGEN PHOSPHATE, BARIUM SALT(1:1), DIHYDRATE

View entire compound with spectra: 1 NMR, 3 FTIR, and 1 Raman

HYDRACRYLONITRILE, DIHYDROGEN PHOSPHATE, BARIUM SALT(1:1), DIHYDRATE
SpectraBase Compound ID 1r4I7tbuKGC
InChI InChI=1S/C3H6NO4P.Ba.2H2O/c4-2-1-3-8-9(5,6)7;;;/h1,3H2,(H2,5,6,7);;2*1H2/q;+2;;/p-2
InChIKey SFFRVKYTJRRUNW-UHFFFAOYSA-L
Mol Weight 322.399 g/mol
Molecular Formula C3H8BaNO6P
Exact Mass 322.914171 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID HlgccdbMngG
Name Barium 2-cyanoethylphosphate hydrate
Source of Sample Aldrich
Catalog Number 146234
CAS Registry Number 207121-42-4
Comments MW calculated on anhydrous base
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C3H4BaNO4P*xH2O
InChI InChI=1S/C3H6NO4P.Ba.2H2O/c4-2-1-3-8-9(5,6)7;;;/h1,3H2,(H2,5,6,7);;2*1H2/q;+2;;/p-2
InChIKey SFFRVKYTJRRUNW-UHFFFAOYSA-L
Synonyms 2-Cyanoethyl phosphate barium salt hydrate 3-(Phosphonooxy)propanenitrile barium salt hydrate
Wiley ID SIAL_ATR-IR_008321