![2-cyano-N-[1-(4-methylphenyl)ethyl]acetamide](/api/spectrum/3Iku3vyv2mH/structure.png?h=300&w=458 "2-cyano-N-[1-(4-methylphenyl)ethyl]acetamide")
| SpectraBase Compound ID | FqyBORBXBB0 |
|---|---|
| InChI | InChI=1S/C12H14N2O/c1-9-3-5-11(6-4-9)10(2)14-12(15)7-8-13/h3-6,10H,7H2,1-2H3,(H,14,15) |
| InChIKey | AUFCYYKJGBQABJ-UHFFFAOYSA-N |
| Mol Weight | 202.26 g/mol |
| Molecular Formula | C12H14N2O |
| Exact Mass | 202.110613 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Iku3vyv2mH |
|---|---|
| Name | 2-Cyano-N-[1-(4-methylphenyl)ethyl]acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.110613078 u |
| Formula | C12H14N2O |
| InChI | InChI=1S/C12H14N2O/c1-9-3-5-11(6-4-9)10(2)14-12(15)7-8-13/h3-6,10H,7H2,1-2H3,(H,14,15) |
| InChIKey | AUFCYYKJGBQABJ-UHFFFAOYSA-N |
| Molecular Weight | 202.257 g/mol |
| SMILES | N(C(CC#N)=O)C(C1=CC=C(C=C1)C)C |