| SpectraBase Compound ID | 1Wjec7CmBss |
|---|---|
| InChI | InChI=1S/C13H11NO/c1-2-3-13(15)9-8-11-4-6-12(10-14)7-5-11/h2-9H,1H3/b3-2+,9-8+ |
| InChIKey | FQQHCHSSQMTMBU-VHYPUYLQSA-N |
| Mol Weight | 197.24 g/mol |
| Molecular Formula | C13H11NO |
| Exact Mass | 197.084064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JCUV3e1zBvH |
|---|---|
| Name | 1-(4-Cyanophenyl)hexa-1,4-dien-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.084063977 u |
| Formula | C13H11NO |
| InChI | InChI=1S/C13H11NO/c1-2-3-13(15)9-8-11-4-6-12(10-14)7-5-11/h2-9H,1H3/b3-2+,9-8+ |
| InChIKey | FQQHCHSSQMTMBU-VHYPUYLQSA-N |
| Molecular Weight | 197.237 g/mol |
| SMILES | C(\C=C\C=1C=CC(=CC1)C#N)(\C=C\C)=O |