| SpectraBase Compound ID | E5Oy5Eu6rGk |
|---|---|
| InChI | InChI=1S/C10H7N/c1-2-3-9-4-6-10(8-11)7-5-9/h4-7H,1H3 |
| InChIKey | VZZUXMKKAHKBEW-UHFFFAOYSA-N |
| Mol Weight | 141.17 g/mol |
| Molecular Formula | C10H7N |
| Exact Mass | 141.057849 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8P7OP2onkVs |
|---|---|
| Name | 4-(Prop-1-ynyl)benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 141.057849229 u |
| Formula | C10H7N |
| InChI | InChI=1S/C10H7N/c1-2-3-9-4-6-10(8-11)7-5-9/h4-7H,1H3 |
| InChIKey | VZZUXMKKAHKBEW-UHFFFAOYSA-N |
| Molecular Weight | 141.173 g/mol |
| SMILES | C=1C(=CC=C(C#CC)C1)C#N |