| SpectraBase Compound ID | IhB2W7THQoQ |
|---|---|
| InChI | InChI=1S/C25H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-25(27)24-19-17-23(22-26)18-20-24/h17-20H,2-16,21H2,1H3 |
| InChIKey | RWCIOCJHQNQQIT-UHFFFAOYSA-N |
| Mol Weight | 385.6 g/mol |
| Molecular Formula | C25H39NO2 |
| Exact Mass | 385.298079 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3V8BblnddiB |
|---|---|
| Name | 4-Cyanobenzoic acid, heptadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 385.298079498 u |
| Formula | C25H39NO2 |
| InChI | InChI=1S/C25H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-25(27)24-19-17-23(22-26)18-20-24/h17-20H,2-16,21H2,1H3 |
| InChIKey | RWCIOCJHQNQQIT-UHFFFAOYSA-N |
| Molecular Weight | 385.592 g/mol |
| SMILES | C(OCCCCCCCCCCCCCCCCC)(=O)C=1C=CC(C#N)=CC1 |