![8-[2-Norbornylmethyloxy]caffeine](/api/spectrum/15Tjr9STPmR/structure.png?h=300&w=458 "8-[2-Norbornylmethyloxy]caffeine")
| SpectraBase Compound ID | 8CE4SOBUJbG |
|---|---|
| InChI | InChI=1S/C16H22N4O3/c1-18-12-13(19(2)16(22)20(3)14(12)21)17-15(18)23-8-11-7-9-4-5-10(11)6-9/h9-11H,4-8H2,1-3H3 |
| InChIKey | MKLGXDBMDGNXER-UHFFFAOYSA-N |
| Mol Weight | 318.38 g/mol |
| Molecular Formula | C16H22N4O3 |
| Exact Mass | 318.169191 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 15Tjr9STPmR |
|---|---|
| Name | 8-[2-Norbornylmethyloxy]caffeine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.169190581 u |
| Formula | C16H22N4O3 |
| InChI | InChI=1S/C16H22N4O3/c1-18-12-13(19(2)16(22)20(3)14(12)21)17-15(18)23-8-11-7-9-4-5-10(11)6-9/h9-11H,4-8H2,1-3H3 |
| InChIKey | MKLGXDBMDGNXER-UHFFFAOYSA-N |
| Molecular Weight | 318.377 g/mol |
| SMILES | C1C2CCC1C(C2)COC1=NC=2N(C)C(=O)N(C)C(C2N1C)=O |