| SpectraBase Compound ID | 6moagVmeoPh |
|---|---|
| InChI | InChI=1S/C21H33NO2/c1-2-3-4-5-6-7-9-18-11-13-19(14-12-18)17-24-21(23)20-10-8-15-22-16-20/h8,10,15-16,18-19H,2-7,9,11-14,17H2,1H3 |
| InChIKey | CWUXMJQLONABKV-UHFFFAOYSA-N |
| Mol Weight | 331.5 g/mol |
| Molecular Formula | C21H33NO2 |
| Exact Mass | 331.251129 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 | 9uGGoy6XDsg |
|---|---|
| Name | (4-Octylcyclohexyl)methyl nicotinate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.251129305 u |
| Formula | C21H33NO2 |
| InChI | InChI=1S/C21H33NO2/c1-2-3-4-5-6-7-9-18-11-13-19(14-12-18)17-24-21(23)20-10-8-15-22-16-20/h8,10,15-16,18-19H,2-7,9,11-14,17H2,1H3 |
| InChIKey | CWUXMJQLONABKV-UHFFFAOYSA-N |
| Molecular Weight | 331.500 g/mol |
| SMILES | CCCCCCCCC1CCC(CC1)COC(C=1C=CC=NC1)=O |