| SpectraBase Compound ID | LGvFmJfeEVp |
|---|---|
| InChI | InChI=1S/C9H12N4O3.C6H5NO2/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7;8-6(9)5-2-1-3-7-4-5/h5,14H,3-4H2,1-2H3;1-4H,(H,8,9) |
| InChIKey | VDEGCIURKGTHCO-UHFFFAOYSA-N |
| Mol Weight | 347.33 g/mol |
| Molecular Formula | C15H17N5O5 |
| Exact Mass | 347.122969 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HizvEZVWXI5 |
|---|---|
| Name | 7-(2-hydroxyethyl)theophylline, mononicotinate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H17N5O5 |
| InChI | InChI=1S/C9H12N4O3.C6H5NO2/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7;8-6(9)5-2-1-3-7-4-5/h5,14H,3-4H2,1-2H3;1-4H,(H,8,9) |
| InChIKey | VDEGCIURKGTHCO-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 37384M |
| Solvent | Polysol |