| SpectraBase Compound ID | En7pq31G35d |
|---|---|
| InChI | InChI=1S/C18H25NO2/c1-2-3-4-5-6-7-8-9-14-21-18(20)17-12-10-16(15-19)11-13-17/h10-13H,2-9,14H2,1H3 |
| InChIKey | DNLLYQQKAAVLPE-UHFFFAOYSA-N |
| Mol Weight | 287.4 g/mol |
| Molecular Formula | C18H25NO2 |
| Exact Mass | 287.188529 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5pcY1gLcksR |
|---|---|
| Name | p-Cyanobenzoic acid, decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.188529047 u |
| Formula | C18H25NO2 |
| InChI | InChI=1S/C18H25NO2/c1-2-3-4-5-6-7-8-9-14-21-18(20)17-12-10-16(15-19)11-13-17/h10-13H,2-9,14H2,1H3 |
| InChIKey | DNLLYQQKAAVLPE-UHFFFAOYSA-N |
| Molecular Weight | 287.403 g/mol |
| SMILES | C=1C(=CC=C(C1)C#N)C(OCCCCCCCCCC)=O |