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4-aminosalicylic acid, calcium salt, trihydrate
SpectraBase Compound ID 3HpV8Fngowc
InChI InChI=1S/2C7H7NO3.Ca.3H2O/c2*8-4-1-2-5(7(10)11)6(9)3-4;;;;/h2*1-3,9H,8H2,(H,10,11);;3*1H2/q;;+2;;;/p-2
InChIKey IPLQYSPEGHNJCQ-UHFFFAOYSA-L
Mol Weight 398.381 g/mol
Molecular Formula C14H18CaN2O9
Exact Mass 398.063821 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9F47GmHCpZ2
Name 4-aminosalicylic acid, calcium salt, trihydrate
Source of Sample Dorsey Laboratories, Division of Sandoz, Inc., Lincoln, Nebraska
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Formula C14H18CaN2O9
InChI InChI=1S/2C7H7NO3.Ca.3H2O/c2*8-4-1-2-5(7(10)11)6(9)3-4;;;;/h2*1-3,9H,8H2,(H,10,11);;3*1H2/q;;+2;;;/p-2
InChIKey IPLQYSPEGHNJCQ-UHFFFAOYSA-L
Instrument Name Varian A-60
Sadtler NMR Number 5147M
Solvent D2O
Synonyms SALICYLIC ACID, 4-AMINO-, CALCIUM SALT, TRIHYDRATE