| SpectraBase Compound ID | DXQXWRtubho |
|---|---|
| InChI | InChI=1S/C10H11NO/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-7H,2-3H2,1H3 |
| InChIKey | ORAXBZFDDWPRRD-UHFFFAOYSA-N |
| Mol Weight | 161.2 g/mol |
| Molecular Formula | C10H11NO |
| Exact Mass | 161.084064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | InWVj0a8R8O |
|---|---|
| Name | .beta.(p-Methoxyphenyl)propionitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 161.084063977 u |
| Formula | C10H11NO |
| InChI | InChI=1S/C10H11NO/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-7H,2-3H2,1H3 |
| InChIKey | ORAXBZFDDWPRRD-UHFFFAOYSA-N |
| Molecular Weight | 161.204 g/mol |
| SMILES | C1=C(C=CC(=C1)OC)CCC#N |