| SpectraBase Compound ID | DD8jivPSnXk |
|---|---|
| InChI | InChI=1S/C12H15NO2/c1-2-3-9-15-12(14)7-6-11-5-4-8-13-10-11/h4-8,10H,2-3,9H2,1H3/b7-6+ |
| InChIKey | ZCZUIAFIHCGERG-VOTSOKGWSA-N |
| Mol Weight | 205.26 g/mol |
| Molecular Formula | C12H15NO2 |
| Exact Mass | 205.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LWiJOBWYGF |
|---|---|
| Name | (E)-3-(Pyridin-3-yl)acrylic acid butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.110278725 u |
| Formula | C12H15NO2 |
| InChI | InChI=1S/C12H15NO2/c1-2-3-9-15-12(14)7-6-11-5-4-8-13-10-11/h4-8,10H,2-3,9H2,1H3/b7-6+ |
| InChIKey | ZCZUIAFIHCGERG-VOTSOKGWSA-N |
| Molecular Weight | 205.257 g/mol |
| SMILES | C(\C=C\C=1C=NC=CC1)(=O)OCCCC |