![8-[3,4-Dihydro-2H-pyran-2-methyl]oxycarffeine](/api/spectrum/192KZGw7KlV/structure.png?h=300&w=458 "8-[3,4-Dihydro-2H-pyran-2-methyl]oxycarffeine")
| SpectraBase Compound ID | 13rEldUr3nH |
|---|---|
| InChI | InChI=1S/C14H18N4O4/c1-16-10-11(17(2)14(20)18(3)12(10)19)15-13(16)22-8-9-6-4-5-7-21-9/h5,7,9H,4,6,8H2,1-3H3 |
| InChIKey | XHQCOGRGWVDWTF-UHFFFAOYSA-N |
| Mol Weight | 306.32 g/mol |
| Molecular Formula | C14H18N4O4 |
| Exact Mass | 306.132805 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 192KZGw7KlV |
|---|---|
| Name | 8-[3,4-Dihydro-2H-pyran-2-methyl]oxycarffeine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.132805072 u |
| Formula | C14H18N4O4 |
| InChI | InChI=1S/C14H18N4O4/c1-16-10-11(17(2)14(20)18(3)12(10)19)15-13(16)22-8-9-6-4-5-7-21-9/h5,7,9H,4,6,8H2,1-3H3 |
| InChIKey | XHQCOGRGWVDWTF-UHFFFAOYSA-N |
| Molecular Weight | 306.322 g/mol |
| SMILES | CN1C(=O)N(C)C2=C(C1=O)N(C(=N2)OCC1CCC=CO1)C |