| SpectraBase Compound ID | 1TJfgHCJljW |
|---|---|
| InChI | InChI=1S/C9H12N4O3/c1-11-5-6(10-8(11)16-4)12(2)9(15)13(3)7(5)14/h1-4H3 |
| InChIKey | ATPSJRIIRXKPER-UHFFFAOYSA-N |
| Mol Weight | 224.22 g/mol |
| Molecular Formula | C9H12N4O3 |
| Exact Mass | 224.09094 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2RZ296eV5Wz |
|---|---|
| Name | 8-methoxycaffeine |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H12N4O3 |
| InChI | InChI=1S/C9H12N4O3/c1-11-5-6(10-8(11)16-4)12(2)9(15)13(3)7(5)14/h1-4H3 |
| InChIKey | ATPSJRIIRXKPER-UHFFFAOYSA-N |
| Instrument Name | Varian A-60D |
| Sadtler NMR Number | 19158M |
| Solvent | Trifluoroacetic acid |