| SpectraBase Compound ID | GrEWYdnEcat |
|---|---|
| InChI | InChI=1S/C9H13N5O3/c1-5(15)3-13-4-11-7-6(13)8(16)14(10)9(17)12(7)2/h4-5,15H,3,10H2,1-2H3 |
| InChIKey | CJCPEKRSXGMCBR-UHFFFAOYSA-N |
| Mol Weight | 239.24 g/mol |
| Molecular Formula | C9H13N5O3 |
| Exact Mass | 239.101839 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G4RRjdXRN13 |
|---|---|
| Name | 1-amino-7-(2-hydroxypropyl)-3-methylxanthine |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H13N5O3 |
| InChI | InChI=1S/C9H13N5O3/c1-5(15)3-13-4-11-7-6(13)8(16)14(10)9(17)12(7)2/h4-5,15H,3,10H2,1-2H3 |
| InChIKey | CJCPEKRSXGMCBR-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 49037M |
| Solvent | DMSO-d6 |