![Methyl 4-[(4,4-dicyano-3-methylbut-3-enyl)]benzoate](/api/spectrum/DsbcLJFTeGq/structure.png?h=300&w=458 "Methyl 4-[(4,4-dicyano-3-methylbut-3-enyl)]benzoate")
| SpectraBase Compound ID | KqAhR6Zt8pk |
|---|---|
| InChI | InChI=1S/C15H14N2O2/c1-11(14(9-16)10-17)3-4-12-5-7-13(8-6-12)15(18)19-2/h5-8H,3-4H2,1-2H3 |
| InChIKey | UAHADGAQHYERSZ-UHFFFAOYSA-N |
| Mol Weight | 254.29 g/mol |
| Molecular Formula | C15H14N2O2 |
| Exact Mass | 254.105528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DsbcLJFTeGq |
|---|---|
| Name | Methyl 4-[(4,4-dicyano-3-methylbut-3-enyl)]benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.105527697 u |
| Formula | C15H14N2O2 |
| InChI | InChI=1S/C15H14N2O2/c1-11(14(9-16)10-17)3-4-12-5-7-13(8-6-12)15(18)19-2/h5-8H,3-4H2,1-2H3 |
| InChIKey | UAHADGAQHYERSZ-UHFFFAOYSA-N |
| Molecular Weight | 254.289 g/mol |
| SMILES | C(C=1C=CC(=CC1)CCC(=C(C#N)C#N)C)(=O)OC |