| SpectraBase Compound ID | 5DiJrv5RviP |
|---|---|
| InChI | InChI=1S/C9H9N/c1-2-8-4-3-5-9(6-8)7-10/h3-6H,2H2,1H3 |
| InChIKey | WEDBHNMGFLTQNC-UHFFFAOYSA-N |
| Mol Weight | 131.18 g/mol |
| Molecular Formula | C9H9N |
| Exact Mass | 131.073499 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3AMLtyYsNPx |
|---|---|
| Name | m-Ethylbenzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 131.073499294 u |
| Formula | C9H9N |
| InChI | InChI=1S/C9H9N/c1-2-8-4-3-5-9(6-8)7-10/h3-6H,2H2,1H3 |
| InChIKey | WEDBHNMGFLTQNC-UHFFFAOYSA-N |
| Molecular Weight | 131.178 g/mol |
| SMILES | C1=C(C=CC=C1CC)C#N |