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3,3-DIMETHYLBUTANE-2-ONE-1,1,1-[METHANE-TRIS-(DIAZENE-N-OXIDE-N'-HYDROXYLATE)]-TRISSODIUM-SALT
SpectraBase Compound ID E0LuLJai4Ny
InChI InChI=1S/C6H12N6O7.CH4O.3Na.H2O/c1-5(2,3)4(13)6(10(17)7-14,11(18)8-15)12(19)9-16;1-2;;;;/h14-16H,1-3H3;2H,1H3;;;;1H2/q;;3*+1;/p-3/b10-7-,11-8-,12-9-;;;;;
InChIKey KBDCHWSPVVLJIU-PZROLGFQSA-K
Mol Weight 396.19930785 g/mol
Molecular Formula C7H15N6Na3O9
Exact Mass 396.059359 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DnbkCXDStSs
Name 3,3-DIMETHYLBUTANE-2-ONE-1,1,1-[METHANE-TRIS-(DIAZENE-N-OXIDE-N'-HYDROXYLATE)]-TRISSODIUM-SALT
Compound Number 6 *CH3OH*H2O
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H15N6Na3O9
InChI InChI=1S/C6H12N6O7.CH4O.3Na.H2O/c1-5(2,3)4(13)6(10(17)7-14,11(18)8-15)12(19)9-16;1-2;;;;/h14-16H,1-3H3;2H,1H3;;;;1H2/q;;3*+1;/p-3/b10-7-,11-8-,12-9-;;;;;
InChIKey KBDCHWSPVVLJIU-PZROLGFQSA-K
Literature Reference Author N.ARULSAMY,D.S.BOHLE
Literature Reference Citation J.AM.CHEM.SOC.,123,10860(2001)
Literature Reference DOI 10.1021/ja002634b
Molecular Weight 396.200 g/mol
Solvent D2O
Source File Reference UWVN28214