| SpectraBase Compound ID | 9EbSOcSsd6D |
|---|---|
| InChI | InChI=1S/C14H15NO3/c1-2-18-14(17)12(9-6-10-15)13(16)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9H2,1H3 |
| InChIKey | BNHMUKSUHCFTQB-UHFFFAOYSA-N |
| Mol Weight | 245.28 g/mol |
| Molecular Formula | C14H15NO3 |
| Exact Mass | 245.105193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GAIyVeopY7B |
|---|---|
| Name | Ethyl 2-benzoyl-4-cyanobutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.105193344 u |
| Formula | C14H15NO3 |
| InChI | InChI=1S/C14H15NO3/c1-2-18-14(17)12(9-6-10-15)13(16)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9H2,1H3 |
| InChIKey | BNHMUKSUHCFTQB-UHFFFAOYSA-N |
| Molecular Weight | 245.278 g/mol |
| SMILES | C1=CC(=CC=C1)C(C(C(OCC)=O)CCC#N)=O |