| SpectraBase Compound ID | J5voUt1WMBZ |
|---|---|
| InChI | InChI=1S/C10H11NO/c1-9-5-2-3-6-10(9)12-8-4-7-11/h2-3,5-6H,4,8H2,1H3 |
| InChIKey | QNJKMBLSQHRIRU-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 | AvWBE6lDUHH |
|---|---|
| Name | Propanenitrile, 3-(2-methylphenoxy)-,; propionitrile, 3-(o-tolyloxy)- |
| 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/c1-9-5-2-3-6-10(9)12-8-4-7-11/h2-3,5-6H,4,8H2,1H3 |
| InChIKey | QNJKMBLSQHRIRU-UHFFFAOYSA-N |
| Molecular Weight | 161.204 g/mol |
| SMILES | C1=C(C(=CC=C1)C)OCCC#N |