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4-nitropyrocatechol, 2-(hydrogen sulfate), dipotassium salt, dihydrate

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

4-nitropyrocatechol, 2-(hydrogen sulfate), dipotassium salt, dihydrate
SpectraBase Compound ID e40cs7Bp24
InChI InChI=1S/C6H5NO7S.2K.2H2O/c8-5-2-1-4(7(9)10)3-6(5)14-15(11,12)13;;;;/h1-3,8H,(H,11,12,13);;;2*1H2/q;2*+1;;/p-2
InChIKey AHHZPWRYIDYWMW-UHFFFAOYSA-L
Mol Weight 347.377 g/mol
Molecular Formula C6H7K2NO9S
Exact Mass 346.911565 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EVjFEK2gd0w
Name 4-NITROPYROCATECHOL, 2-(HYDROGEN SULFATE), DIPOTASSIUMSALT, DIHYDRATE
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 14528-64-4
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H3K2NO7S 2H2O
InChI InChI=1S/C6H5NO7S.2K.2H2O/c8-5-2-1-4(7(9)10)3-6(5)14-15(11,12)13;;;;/h1-3,8H,(H,11,12,13);;;2*1H2/q;2*+1;;/p-2
InChIKey AHHZPWRYIDYWMW-UHFFFAOYSA-L
Molecular Weight 347.39
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20