| SpectraBase Compound ID | 31LUgp0QzA1 |
|---|---|
| InChI | InChI=1S/C17H15NO2/c1-2-3-13-4-8-15(9-5-13)17(19)20-16-10-6-14(12-18)7-11-16/h4-11H,2-3H2,1H3 |
| InChIKey | NCTWNVKZQMMLIV-UHFFFAOYSA-N |
| Mol Weight | 265.31 g/mol |
| Molecular Formula | C17H15NO2 |
| Exact Mass | 265.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hm7GmOV20AM |
|---|---|
| Name | 4-Cyanophenyl 4-N-propylbenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.110278725 u |
| Formula | C17H15NO2 |
| InChI | InChI=1S/C17H15NO2/c1-2-3-13-4-8-15(9-5-13)17(19)20-16-10-6-14(12-18)7-11-16/h4-11H,2-3H2,1H3 |
| InChIKey | NCTWNVKZQMMLIV-UHFFFAOYSA-N |
| Molecular Weight | 265.312 g/mol |
| SMILES | C=1C(=CC=C(C1)CCC)C(OC=1C=CC(=CC1)C#N)=O |