| SpectraBase Compound ID | 3FA38peaqIT |
|---|---|
| InChI | InChI=1S/C22H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-25-22(24)21-16-14-20(19-23)15-17-21/h14-17H,2-13,18H2,1H3 |
| InChIKey | GHWJYNVUWQLING-UHFFFAOYSA-N |
| Mol Weight | 343.5 g/mol |
| Molecular Formula | C22H33NO2 |
| Exact Mass | 343.251129 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GZBDI0AkbY7 |
|---|---|
| Name | 4-Cyanobenzoic acid, tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.251129305 u |
| Formula | C22H33NO2 |
| InChI | InChI=1S/C22H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-25-22(24)21-16-14-20(19-23)15-17-21/h14-17H,2-13,18H2,1H3 |
| InChIKey | GHWJYNVUWQLING-UHFFFAOYSA-N |
| Molecular Weight | 343.511 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCCCCCCCCCCCCC)=O)C#N |