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3,3-DIMETHYLBUTANE-2-ONE-1,1,1-[METHANE-TRIS-(DIAZENE-N-OXIDE-N'-HYDROXYLATE)]-TRIPOTASSIUM-SALT
SpectraBase Compound ID 1OCHFh0I2uH
InChI InChI=1S/C6H12N6O7.3K.3H2O/c1-5(2,3)4(13)6(10(17)7-14,11(18)8-15)12(19)9-16;;;;;;/h14-16H,1-3H3;;;;3*1H2/q;3*+1;;;/p-3/b10-7-,11-8-,12-9-;;;;;;
InChIKey VSFBPOPSHJPCMQ-XNUAWWKISA-K
Mol Weight 448.5129 g/mol
Molecular Formula C6H15K3N6O10
Exact Mass 447.976085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 69ECCdrzP5k
Name 3,3-DIMETHYLBUTANE-2-ONE-1,1,1-[METHANE-TRIS-(DIAZENE-N-OXIDE-N'-HYDROXYLATE)]-TRIPOTASSIUM-SALT
Compound Number 7*3H2O
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H15K3N6O10
InChI InChI=1S/C6H12N6O7.3K.3H2O/c1-5(2,3)4(13)6(10(17)7-14,11(18)8-15)12(19)9-16;;;;;;/h14-16H,1-3H3;;;;3*1H2/q;3*+1;;;/p-3/b10-7-,11-8-,12-9-;;;;;;
InChIKey VSFBPOPSHJPCMQ-XNUAWWKISA-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 448.514 g/mol
Solvent KOD:D2O;0.1M
Source File Reference UWVN28215