| SpectraBase Compound ID | KL5fkv1oxQn |
|---|---|
| InChI | InChI=1S/C8H9ClN4O2/c1-11-4-5(10-7(11)9)12(2)8(15)13(3)6(4)14/h1-3H3 |
| InChIKey | HGKPGBJNNATDRR-UHFFFAOYSA-N |
| Mol Weight | 228.64 g/mol |
| Molecular Formula | C8H9ClN4O2 |
| Exact Mass | 228.041403 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EeSGYmafRYa |
|---|---|
| Name | 8-chlorocaffeine |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H9ClN4O2 |
| InChI | InChI=1S/C8H9ClN4O2/c1-11-4-5(10-7(11)9)12(2)8(15)13(3)6(4)14/h1-3H3 |
| InChIKey | HGKPGBJNNATDRR-UHFFFAOYSA-N |
| Instrument Name | Varian A-60D |
| Sadtler NMR Number | 21966M |
| Solvent | Trifluoroacetic acid |