| SpectraBase Compound ID | Ek9sg50W2Zt |
|---|---|
| InChI | InChI=1S/C7H9N5O2/c1-10-3-9-5-4(10)6(13)12(8)7(14)11(5)2/h3H,8H2,1-2H3 |
| InChIKey | NAVLIYUAMBPQRQ-UHFFFAOYSA-N |
| Mol Weight | 195.18 g/mol |
| Molecular Formula | C7H9N5O2 |
| Exact Mass | 195.075625 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E0aY0BRRfQ4 |
|---|---|
| Name | 1-aminotheobromine |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H9N5O2 |
| InChI | InChI=1S/C7H9N5O2/c1-10-3-9-5-4(10)6(13)12(8)7(14)11(5)2/h3H,8H2,1-2H3 |
| InChIKey | NAVLIYUAMBPQRQ-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 49036M |
| Solvent | DMSO-d6 |