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2-N-(N-Methylureido)-2-oxoethylphosphonic acid, 8-hydroxyquinoliniumsalt

View entire compound with spectra: 2 NMR

2-N-(N-Methylureido)-2-oxoethylphosphonic acid, 8-hydroxyquinoliniumsalt
SpectraBase Compound ID 9PXf9NHcbew
InChI InChI=1S/C9H7NO.C4H9N2O5P/c11-8-5-1-3-7-4-2-6-10-9(7)8;1-5-4(8)6-3(7)2-12(9,10)11/h1-6,11H;2H2,1H3,(H2,9,10,11)(H2,5,6,7,8)
InChIKey ANYQMBOSMYVQLZ-UHFFFAOYSA-N
Mol Weight 341.26 g/mol
Molecular Formula C13H16N3O6P
Exact Mass 341.077672 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8arxIsnpAds
Name 2-N-(N-Methylureido)-2-oxoethylphosphonic acid, 8-hydroxyquinoliniumsalt
Comments Computed using HOSE algorithm
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Exact Mass 341.077672239 u
Formula C13H16N3O6P
InChI InChI=1S/C9H7NO.C4H9N2O5P/c11-8-5-1-3-7-4-2-6-10-9(7)8;1-5-4(8)6-3(7)2-12(9,10)11/h1-6,11H;2H2,1H3,(H2,9,10,11)(H2,5,6,7,8)
InChIKey ANYQMBOSMYVQLZ-UHFFFAOYSA-N
Molecular Weight 341.260 g/mol
SMILES Oc1c2c(ccc1)ccc[nH+]2.N(C(CP([O-])(=O)O)=O)C(=O)NC