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4-acetamidosalicylic acid, monosodium salt, dihydrate
SpectraBase Compound ID AaesNNqpwCP
InChI InChI=1S/C9H9NO4.Na.2H2O/c1-5(11)10-6-2-3-7(9(13)14)8(12)4-6;;;/h2-4,12H,1H3,(H,10,11)(H,13,14);;2*1H2/q;+1;;/p-1
InChIKey LXMATPJABHBDNI-UHFFFAOYSA-M
Mol Weight 253.186 g/mol
Molecular Formula C9H12NNaO6
Exact Mass 253.056231 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 49rOOqLrqel
Name 4-acetamidosalicylic acid, monosodium salt, dihydrate
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Formula C9H12NNaO6
InChI InChI=1S/C9H9NO4.Na.2H2O/c1-5(11)10-6-2-3-7(9(13)14)8(12)4-6;;;/h2-4,12H,1H3,(H,10,11)(H,13,14);;2*1H2/q;+1;;/p-1
InChIKey LXMATPJABHBDNI-UHFFFAOYSA-M
Instrument Name Varian CFT-20
Sadtler NMR Number 31408M
Solvent Polysol