| SpectraBase Compound ID | 51S7y3HVbcL |
|---|---|
| InChI | InChI=1S/C13H15NO2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h4-11H,2-3H2,1H3/b5-4+,7-6- |
| InChIKey | CLBDSAOGSBTQSR-DEQVHDEQSA-N |
| Mol Weight | 217.27 g/mol |
| Molecular Formula | C13H15NO2 |
| Exact Mass | 217.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DkUyk0PzkUM |
|---|---|
| Name | 1-(4-Nitrophenyl)-1,3-heptadiene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.110278725 u |
| Formula | C13H15NO2 |
| InChI | InChI=1S/C13H15NO2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h4-11H,2-3H2,1H3/b5-4+,7-6- |
| InChIKey | CLBDSAOGSBTQSR-DEQVHDEQSA-N |
| Molecular Weight | 217.268 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(\C=C/C=C/CCC)C=C1 |