![1-Benzo[1,3]dioxol-5-ylmethyl-4-hydroxy-6-methyl-1H-pyridin-2-one](/api/spectrum/AtZA0APr9U4/structure.png?h=300&w=458 "1-Benzo[1,3]dioxol-5-ylmethyl-4-hydroxy-6-methyl-1H-pyridin-2-one")
| SpectraBase Compound ID | BDB1f5gGw9Z |
|---|---|
| InChI | InChI=1S/C14H13NO4/c1-9-4-11(16)6-14(17)15(9)7-10-2-3-12-13(5-10)19-8-18-12/h2-6,16H,7-8H2,1H3 |
| InChIKey | PNORSSADLFXGST-UHFFFAOYSA-N |
| Mol Weight | 259.26 g/mol |
| Molecular Formula | C14H13NO4 |
| Exact Mass | 259.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AtZA0APr9U4 |
|---|---|
| Name | 1-Benzo[1,3]dioxol-5-ylmethyl-4-hydroxy-6-methyl-1H-pyridin-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.084457899 u |
| Formula | C14H13NO4 |
| InChI | InChI=1S/C14H13NO4/c1-9-4-11(16)6-14(17)15(9)7-10-2-3-12-13(5-10)19-8-18-12/h2-6,16H,7-8H2,1H3 |
| InChIKey | PNORSSADLFXGST-UHFFFAOYSA-N |
| Molecular Weight | 259.261 g/mol |
| SMILES | C1(C=C(O)C=C(N1CC1=CC=C2C(=C1)OCO2)C)=O |