| SpectraBase Compound ID | 86URPvSh126 |
|---|---|
| InChI | InChI=1S/C19H19NO4/c1-2-15(7-13-3-5-16-18(8-13)23-11-21-16)20-10-14-4-6-17-19(9-14)24-12-22-17/h3-6,8-10,15H,2,7,11-12H2,1H3/b20-10+ |
| InChIKey | SHCAAKFZQXVJKX-KEBDBYFISA-N |
| Mol Weight | 325.36 g/mol |
| Molecular Formula | C19H19NO4 |
| Exact Mass | 325.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KIg2bJuPasw |
|---|---|
| Name | bdb Piperonal adduct |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.131408092 u |
| Formula | C19H19NO4 |
| InChI | InChI=1S/C19H19NO4/c1-2-15(7-13-3-5-16-18(8-13)23-11-21-16)20-10-14-4-6-17-19(9-14)24-12-22-17/h3-6,8-10,15H,2,7,11-12H2,1H3/b20-10+ |
| InChIKey | SHCAAKFZQXVJKX-KEBDBYFISA-N |
| Molecular Weight | 325.364 g/mol |
| SMILES | C1=2C(=CC(CC(\N=C\C=3C=C4C(=CC3)OCO4)CC)=CC2)OCO1 |