| SpectraBase Compound ID | LWZKwqO3DmG |
|---|---|
| InChI | InChI=1S/C23H39NO2/c1-21(2)16-13-11-9-7-5-3-4-6-8-10-12-14-19-26-23(25)22-17-15-18-24-20-22/h15,17-18,20-21H,3-14,16,19H2,1-2H3 |
| InChIKey | KUQUTIGXEIJSKE-UHFFFAOYSA-N |
| Mol Weight | 361.6 g/mol |
| Molecular Formula | C23H39NO2 |
| Exact Mass | 361.298079 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GbWE6ODbw2L |
|---|---|
| Name | 15-Methyl-hexadecan-1-ol, nicotinate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.298079498 u |
| Formula | C23H39NO2 |
| InChI | InChI=1S/C23H39NO2/c1-21(2)16-13-11-9-7-5-3-4-6-8-10-12-14-19-26-23(25)22-17-15-18-24-20-22/h15,17-18,20-21H,3-14,16,19H2,1-2H3 |
| InChIKey | KUQUTIGXEIJSKE-UHFFFAOYSA-N |
| Molecular Weight | 361.570 g/mol |
| SMILES | C1=CN=CC(=C1)C(=O)OCCCCCCCCCCCCCCC(C)C |