| SpectraBase Compound ID | 7XkBs9mtkCd |
|---|---|
| InChI | InChI=1S/C15H14N4O3/c1-17-10-12(18(2)15(22)19(3)14(10)21)16-13(17)11(20)9-7-5-4-6-8-9/h4-8H,1-3H3 |
| InChIKey | RLIJLUKTZNBAJG-UHFFFAOYSA-N |
| Mol Weight | 298.3 g/mol |
| Molecular Formula | C15H14N4O3 |
| Exact Mass | 298.10659 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1nlmACwACa1 |
|---|---|
| Name | 8-benzoylcaffeine |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H14N4O3 |
| InChI | InChI=1S/C15H14N4O3/c1-17-10-12(18(2)15(22)19(3)14(10)21)16-13(17)11(20)9-7-5-4-6-8-9/h4-8H,1-3H3 |
| InChIKey | RLIJLUKTZNBAJG-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 49193M |
| Solvent | CDCl3 |