| SpectraBase Compound ID | DX4CpamJ61A |
|---|---|
| InChI | InChI=1S/C18H18N2O/c1-18(2,3)15-8-6-14(7-9-15)17(21)20-16-10-4-13(12-19)5-11-16/h4-11H,1-3H3,(H,20,21) |
| InChIKey | PRDMRYXDKGUAIW-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C18H18N2O |
| Exact Mass | 278.141913 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Im0i2WspowF |
|---|---|
| Name | 4-Cyano-N-(4'-tert-butylphenylamido)benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.141913207 u |
| Formula | C18H18N2O |
| InChI | InChI=1S/C18H18N2O/c1-18(2,3)15-8-6-14(7-9-15)17(21)20-16-10-4-13(12-19)5-11-16/h4-11H,1-3H3,(H,20,21) |
| InChIKey | PRDMRYXDKGUAIW-UHFFFAOYSA-N |
| Molecular Weight | 278.355 g/mol |
| SMILES | C(NC=1C=CC(C#N)=CC1)(C=1C=CC(C(C)(C)C)=CC1)=O |