| SpectraBase Compound ID | HeBNHr3DDPP |
|---|---|
| InChI | InChI=1S/C11H11NO2/c1-2-14-10-5-3-9(4-6-10)11(13)7-8-12/h3-6H,2,7H2,1H3 |
| InChIKey | CJZHUVVJWMKTPH-UHFFFAOYSA-N |
| Mol Weight | 189.21 g/mol |
| Molecular Formula | C11H11NO2 |
| Exact Mass | 189.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6NqxwO2aGjD |
|---|---|
| Name | 3-(4-Ethoxyphenyl)-3-oxopropanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.078978596 u |
| Formula | C11H11NO2 |
| InChI | InChI=1S/C11H11NO2/c1-2-14-10-5-3-9(4-6-10)11(13)7-8-12/h3-6H,2,7H2,1H3 |
| InChIKey | CJZHUVVJWMKTPH-UHFFFAOYSA-N |
| Molecular Weight | 189.214 g/mol |
| SMILES | C1=C(C=CC(=C1)OCC)C(CC#N)=O |