![S-(-)-8-{[1-(hydroxymethyl)propyl]amino}theophylline, acetate (ester)](/api/spectrum/8fZMUVsvStz/structure.png?h=300&w=458 "S-(-)-8-{[1-(hydroxymethyl)propyl]amino}theophylline, acetate (ester)")
| SpectraBase Compound ID | AvndL11nV2i |
|---|---|
| InChI | InChI=1S/C13H19N5O4/c1-5-8(6-22-7(2)19)14-12-15-9-10(16-12)17(3)13(21)18(4)11(9)20/h8H,5-6H2,1-4H3,(H2,14,15,16) |
| InChIKey | UJIBXGCMTPZSEL-UHFFFAOYSA-N |
| Mol Weight | 309.33 g/mol |
| Molecular Formula | C13H19N5O4 |
| Exact Mass | 309.143704 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 | 8fZMUVsvStz |
|---|---|
| Name | S-(-)-8-{[1-(hydroxymethyl)propyl]amino}theophylline, acetate (ester) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H19N5O4 |
| InChI | InChI=1S/C13H19N5O4/c1-5-8(6-22-7(2)19)14-12-15-9-10(16-12)17(3)13(21)18(4)11(9)20/h8H,5-6H2,1-4H3,(H2,14,15,16) |
| InChIKey | UJIBXGCMTPZSEL-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 43448M |
| Solvent | CDCl3 |