| SpectraBase Compound ID | De10yMvhgy7 |
|---|---|
| InChI | InChI=1S/C16H13NO2/c18-17(19)16-12-6-11-15(13-16)10-5-4-9-14-7-2-1-3-8-14/h1-13H/b9-4+,10-5+ |
| InChIKey | BGLYLUXCFVPGNA-LUZURFALSA-N |
| Mol Weight | 251.28 g/mol |
| Molecular Formula | C16H13NO2 |
| Exact Mass | 251.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I5FUYD0fHrA |
|---|---|
| Name | 1-Nitro-3-(4-phenylbuta-1,3-dien-1-yl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.094628661 u |
| Formula | C16H13NO2 |
| InChI | InChI=1S/C16H13NO2/c18-17(19)16-12-6-11-15(13-16)10-5-4-9-14-7-2-1-3-8-14/h1-13H/b9-4+,10-5+ |
| InChIKey | BGLYLUXCFVPGNA-LUZURFALSA-N |
| Molecular Weight | 251.285 g/mol |
| SMILES | C1(=CC(=CC=C1)\C=C\C=C\C1=CC=CC=C1)N(=O)=O |