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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5MPpXMC7NzE
Name HYDRACRYLONITRILE, DIHYDROGEN PHOSPHATE, BARIUM SALT(1:1), DIHYDRATE
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 5015-38-3
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C3H4BaNO4P 2H2O
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
Molecular Weight 322.41
Solvent Deuterium oxide/Deuterium chloride; Reference=Dioxane Spectrometer= Varian CFT-20