| SpectraBase Compound ID | 2JVHPg3Ri7W |
|---|---|
| InChI | InChI=1S/C10H14N4O4.C6H5NO2/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15;8-6(9)5-2-1-3-7-4-5/h5-6,15-16H,3-4H2,1-2H3;1-4H,(H,8,9) |
| InChIKey | AFBHDSYEZLJHDA-UHFFFAOYSA-N |
| Mol Weight | 377.36 g/mol |
| Molecular Formula | C16H19N5O6 |
| Exact Mass | 377.133533 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 13EgCWWrP2s |
|---|---|
| Name | 7-(2,3-dihydroxypropyl)theophylline, mononicotinate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H19N5O6 |
| InChI | InChI=1S/C10H14N4O4.C6H5NO2/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15;8-6(9)5-2-1-3-7-4-5/h5-6,15-16H,3-4H2,1-2H3;1-4H,(H,8,9) |
| InChIKey | AFBHDSYEZLJHDA-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 37336M |
| Solvent | Polysol |