| SpectraBase Compound ID | 1MCMAJ4rJa6 |
|---|---|
| InChI | InChI=1S/C23H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-26-23(25)22-17-15-21(20-24)16-18-22/h15-18H,2-14,19H2,1H3 |
| InChIKey | WXVFKSKXNUHSII-UHFFFAOYSA-N |
| Mol Weight | 357.5 g/mol |
| Molecular Formula | C23H35NO2 |
| Exact Mass | 357.266779 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AHSWAT56NVf |
|---|---|
| Name | 4-Cyanobenzoic acid, pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.266779369 u |
| Formula | C23H35NO2 |
| InChI | InChI=1S/C23H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-26-23(25)22-17-15-21(20-24)16-18-22/h15-18H,2-14,19H2,1H3 |
| InChIKey | WXVFKSKXNUHSII-UHFFFAOYSA-N |
| Molecular Weight | 357.538 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCCCCCCCCCCCCCC)=O)C#N |