| SpectraBase Compound ID | 5ca9NYrK61v |
|---|---|
| InChI | InChI=1S/C11H7NO/c1-9(13)2-3-10-4-6-11(8-12)7-5-10/h4-7H,1H3 |
| InChIKey | XXXFJESHROHUKK-UHFFFAOYSA-N |
| Mol Weight | 169.18 g/mol |
| Molecular Formula | C11H7NO |
| Exact Mass | 169.052764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GGdAnyJroCP |
|---|---|
| Name | 4-(3-Oxobut-1-ynyl)benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 169.052763848 u |
| Formula | C11H7NO |
| InChI | InChI=1S/C11H7NO/c1-9(13)2-3-10-4-6-11(8-12)7-5-10/h4-7H,1H3 |
| InChIKey | XXXFJESHROHUKK-UHFFFAOYSA-N |
| Molecular Weight | 169.183 g/mol |
| SMILES | C(#CC1=CC=C(C#N)C=C1)C(=O)C |