| SpectraBase Compound ID | 9kk9D2fc2Cp |
|---|---|
| InChI | InChI=1S/C22H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-22(24)21-17-16-18-23-20-21/h7-8,16-18,20H,2-6,9-15,19H2,1H3/b8-7+ |
| InChIKey | UUFYNUWFSFOCEV-BQYQJAHWSA-N |
| Mol Weight | 345.5 g/mol |
| Molecular Formula | C22H35NO2 |
| Exact Mass | 345.266779 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B0tW0PYiE1J |
|---|---|
| Name | Hexadec-9-en-1-ol, nicotinate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.266779369 u |
| Formula | C22H35NO2 |
| InChI | InChI=1S/C22H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-22(24)21-17-16-18-23-20-21/h7-8,16-18,20H,2-6,9-15,19H2,1H3/b8-7+ |
| InChIKey | UUFYNUWFSFOCEV-BQYQJAHWSA-N |
| Molecular Weight | 345.527 g/mol |
| SMILES | C1=CC(C(=O)OCCCCCCCC\C=C\CCCCCC)=CN=C1 |