| SpectraBase Compound ID | 9wEus3r5Hcv |
|---|---|
| InChI | InChI=1S/2C7H7NO3.Ca/c2*8-4-1-2-5(7(10)11)6(9)3-4;/h2*1-3,9H,8H2,(H,10,11);/q;;+2/p-2 |
| InChIKey | XDWVNCOPMIEDJK-UHFFFAOYSA-L |
| Mol Weight | 344.3 g/mol |
| Molecular Formula | C14H12CaN2O6 |
| Exact Mass | 344.032127 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KOP7uq23b2N |
|---|---|
| Name | 4-aminosalicylic acid, calcium salt |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H12CaN2O6 |
| InChI | InChI=1S/2C7H7NO3.Ca/c2*8-4-1-2-5(7(10)11)6(9)3-4;/h2*1-3,9H,8H2,(H,10,11);/q;;+2/p-2 |
| InChIKey | XDWVNCOPMIEDJK-UHFFFAOYSA-L |
| Instrument Name | Varian A-60D |
| Sadtler NMR Number | 18070M |
| Solvent | Trifluoroacetic acid |