![R-(+)-8-{[1-(chloromethyl)propyl]amino}theophylline](/api/spectrum/6SpgaFZ26iy/structure.png?h=300&w=458 "R-(+)-8-{[1-(chloromethyl)propyl]amino}theophylline")
| SpectraBase Compound ID | 8JLlmVAvQ0v |
|---|---|
| InChI | InChI=1S/C11H16ClN5O2/c1-4-6(5-12)13-10-14-7-8(15-10)16(2)11(19)17(3)9(7)18/h6H,4-5H2,1-3H3,(H2,13,14,15) |
| InChIKey | RMHCSKUWYDMJFA-UHFFFAOYSA-N |
| Mol Weight | 285.73 g/mol |
| Molecular Formula | C11H16ClN5O2 |
| Exact Mass | 285.099252 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 | 6SpgaFZ26iy |
|---|---|
| Name | R-(+)-8-{[1-(chloromethyl)propyl]amino}theophylline |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H16ClN5O2 |
| InChI | InChI=1S/C11H16ClN5O2/c1-4-6(5-12)13-10-14-7-8(15-10)16(2)11(19)17(3)9(7)18/h6H,4-5H2,1-3H3,(H2,13,14,15) |
| InChIKey | RMHCSKUWYDMJFA-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 43449M |
| Solvent | Polysol-d |