| SpectraBase Compound ID | AjyCMahOGvi |
|---|---|
| InChI | InChI=1S/C11H9NO/c1-9(13)2-3-10-4-6-11(8-12)7-5-10/h2-7H,1H3/b3-2+ |
| InChIKey | HQBRLWSRWSICCF-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 | 2VzCk5CoGuV |
|---|---|
| Name | (E)-4-(4'-Cyanophenyl)-3-buten-2-one |
| 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/c1-9(13)2-3-10-4-6-11(8-12)7-5-10/h2-7H,1H3/b3-2+ |
| InChIKey | HQBRLWSRWSICCF-NSCUHMNNSA-N |
| Molecular Weight | 171.199 g/mol |
| SMILES | C1=C(C=CC(\C=C\C(C)=O)=C1)C#N |