| SpectraBase Compound ID | GsNXSoMvMR0 |
|---|---|
| InChI | InChI=1S/C16H13NO3/c1-11-2-5-13(9-17-11)14(18)6-3-12-4-7-15-16(8-12)20-10-19-15/h2-9H,10H2,1H3/b6-3+ |
| InChIKey | CYSMHMVEPBRIIW-ZZXKWVIFSA-N |
| Mol Weight | 267.28 g/mol |
| Molecular Formula | C16H13NO3 |
| Exact Mass | 267.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LQadPBs8HFX |
|---|---|
| Name | 2-Methyl-5-(3,4-methylenedioxycinnamoyl)pyridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.089543280 u |
| Formula | C16H13NO3 |
| InChI | InChI=1S/C16H13NO3/c1-11-2-5-13(9-17-11)14(18)6-3-12-4-7-15-16(8-12)20-10-19-15/h2-9H,10H2,1H3/b6-3+ |
| InChIKey | CYSMHMVEPBRIIW-ZZXKWVIFSA-N |
| Molecular Weight | 267.284 g/mol |
| SMILES | C1(=CN=C(C=C1)C)C(\C=C\C1=CC2=C(C=C1)OCO2)=O |