| SpectraBase Compound ID | 4bXXeBmFf6p |
|---|---|
| InChI | InChI=1S/C10H14N4O3/c1-6(15)4-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2/h5-6,15H,4H2,1-3H3 |
| InChIKey | KYHQZNGJUGFTGR-UHFFFAOYSA-N |
| Mol Weight | 238.25 g/mol |
| Molecular Formula | C10H14N4O3 |
| Exact Mass | 238.10659 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9508dyUY5Tr |
|---|---|
| Name | 7-(2-hydroxypropyl)theophylline |
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H16N4O3 |
| InChI | InChI=1S/C10H14N4O3/c1-6(15)4-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2/h5-6,15H,4H2,1-3H3 |
| InChIKey | KYHQZNGJUGFTGR-UHFFFAOYSA-N |
| Instrument Name | Varian A-60 |
| Sadtler NMR Number | 2284M |
| Solvent | CDCl3 |
| Synonyms | THEOPHYLLINE, 7-/2-HYDROXYPROPYL/-, |