![7-[(1-pyrrolidinyl)methyl]theophylline](/api/spectrum/5kxph8I5hPe/structure.png?h=300&w=458 "7-[(1-pyrrolidinyl)methyl]theophylline")
| SpectraBase Compound ID | 3WhDvVIqKUu |
|---|---|
| InChI | InChI=1S/C12H17N5O2/c1-14-10-9(11(18)15(2)12(14)19)13-7-17(10)8-16-5-3-4-6-16/h7H,3-6,8H2,1-2H3 |
| InChIKey | XMMGOULUOGREFF-UHFFFAOYSA-N |
| Mol Weight | 263.3 g/mol |
| Molecular Formula | C12H17N5O2 |
| Exact Mass | 263.138225 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5kxph8I5hPe |
|---|---|
| Name | 7-[(1-pyrrolidinyl)methyl]theophylline |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H17N5O2 |
| InChI | InChI=1S/C12H17N5O2/c1-14-10-9(11(18)15(2)12(14)19)13-7-17(10)8-16-5-3-4-6-16/h7H,3-6,8H2,1-2H3 |
| InChIKey | XMMGOULUOGREFF-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 37429M |
| Solvent | Polysol |