| SpectraBase Compound ID | BXSMIgHhlWN |
|---|---|
| InChI | InChI=1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27-24(26)23-18-16-22(21-25)17-19-23/h16-19H,2-15,20H2,1H3 |
| InChIKey | WXBONVHCLKVXBG-UHFFFAOYSA-N |
| Mol Weight | 371.6 g/mol |
| Molecular Formula | C24H37NO2 |
| Exact Mass | 371.282429 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LcqAl8NdBzT |
|---|---|
| Name | 4-Cyanobenzoic acid, hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 371.282429433 u |
| Formula | C24H37NO2 |
| InChI | InChI=1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27-24(26)23-18-16-22(21-25)17-19-23/h16-19H,2-15,20H2,1H3 |
| InChIKey | WXBONVHCLKVXBG-UHFFFAOYSA-N |
| Molecular Weight | 371.565 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OCCCCCCCCCCCCCCCC)=O)C#N |