![S-(-)-8-{[1-(Hydroxymethyl)propyl]amino}theophylline](/api/spectrum/HMe3tHkzyEm/structure.png?h=300&w=458 "S-(-)-8-{[1-(Hydroxymethyl)propyl]amino}theophylline")
| SpectraBase Compound ID | 7LKXTOxlTZh |
|---|---|
| InChI | InChI=1S/C11H17N5O3/c1-4-6(5-17)12-10-13-7-8(14-10)15(2)11(19)16(3)9(7)18/h6,17H,4-5H2,1-3H3,(H2,12,13,14)/t6-/m0/s1 |
| InChIKey | ZHCKJNQISYBSNK-LURJTMIESA-N |
| Mol Weight | 267.29 g/mol |
| Molecular Formula | C11H17N5O3 |
| Exact Mass | 267.133139 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HMe3tHkzyEm |
|---|---|
| Name | S-(-)-8-{[1-(Hydroxymethyl)propyl]amino}theophylline |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H17N5O3 |
| InChI | InChI=1S/C11H17N5O3/c1-4-6(5-17)12-10-13-7-8(14-10)15(2)11(19)16(3)9(7)18/h6,17H,4-5H2,1-3H3,(H2,12,13,14)/t6-/m0/s1 |
| InChIKey | ZHCKJNQISYBSNK-LURJTMIESA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 43447M |
| Solvent | Polysol-d |