| SpectraBase Compound ID | 8fvrRMDSR3H |
|---|---|
| InChI | InChI=1S/C16H21NO/c1-15(2,3)12-9-11(7-8-17)10-13(14(12)18)16(4,5)6/h7,9-10H,1-6H3 |
| InChIKey | VWJMHEHVAHYPDI-UHFFFAOYSA-N |
| Mol Weight | 243.35 g/mol |
| Molecular Formula | C16H21NO |
| Exact Mass | 243.162314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CY2JDyEmjIf |
|---|---|
| Name | 2,6-bis(1,1-Dimethylethyl)-4-cyanomethylenecyclohexa-2,5-diene-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.162314299 u |
| Formula | C16H21NO |
| InChI | InChI=1S/C16H21NO/c1-15(2,3)12-9-11(7-8-17)10-13(14(12)18)16(4,5)6/h7,9-10H,1-6H3 |
| InChIKey | VWJMHEHVAHYPDI-UHFFFAOYSA-N |
| Molecular Weight | 243.350 g/mol |
| SMILES | C1(C(=CC(C=C1C(C)(C)C)=CC#N)C(C)(C)C)=O |