![4,4-Dimethyl-2-[p-(trifluoromethyl)benzylidene]-3-oxovaleronitrile](/api/spectrum/CB6msqrRRVE/structure.png?h=300&w=458 "4,4-Dimethyl-2-[p-(trifluoromethyl)benzylidene]-3-oxovaleronitrile")
| SpectraBase Compound ID | 7SmS1r066JN |
|---|---|
| InChI | InChI=1S/C15H14F3NO/c1-14(2,3)13(20)11(9-19)8-10-4-6-12(7-5-10)15(16,17)18/h4-8H,1-3H3 |
| InChIKey | YMQIDUJLGLSQAL-UHFFFAOYSA-N |
| Mol Weight | 281.28 g/mol |
| Molecular Formula | C15H14F3NO |
| Exact Mass | 281.102749 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CB6msqrRRVE |
|---|---|
| Name | 4,4-Dimethyl-2-[p-(trifluoromethyl)benzylidene]-3-oxovaleronitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.102748563 u |
| Formula | C15H14F3NO |
| InChI | InChI=1S/C15H14F3NO/c1-14(2,3)13(20)11(9-19)8-10-4-6-12(7-5-10)15(16,17)18/h4-8H,1-3H3 |
| InChIKey | YMQIDUJLGLSQAL-UHFFFAOYSA-N |
| Molecular Weight | 281.278 g/mol |
| SMILES | C(F)(F)(F)C1=CC=C(C=C1)C=C(C(C(C)(C)C)=O)C#N |