| SpectraBase Compound ID | A7Bw0QCrDZ8 |
|---|---|
| InChI | InChI=1S/C11H9NO/c1-2-3-11(13)10-6-4-9(8-12)5-7-10/h2-7H,1H3/b3-2+ |
| InChIKey | DIPXXAAFQQYXAF-NSCUHMNNSA-N |
| Mol Weight | 171.2 g/mol |
| Molecular Formula | C11H9NO |
| Exact Mass | 171.068414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JtlQiQE66py |
|---|---|
| Name | p-Cyanocrotonophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.068413913 u |
| Formula | C11H9NO |
| InChI | InChI=1S/C11H9NO/c1-2-3-11(13)10-6-4-9(8-12)5-7-10/h2-7H,1H3/b3-2+ |
| InChIKey | DIPXXAAFQQYXAF-NSCUHMNNSA-N |
| Molecular Weight | 171.199 g/mol |
| SMILES | C1=C(C=CC(=C1)C(\C=C\C)=O)C#N |