| SpectraBase Compound ID | IFXMjO1NMpw |
|---|---|
| InChI | InChI=1S/C26H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-29-26(28)24-18-19-25-23(22-24)17-16-20-27-25/h16-20,22H,2-15,21H2,1H3 |
| InChIKey | MBBBPFXWLDFSDO-UHFFFAOYSA-N |
| Mol Weight | 397.6 g/mol |
| Molecular Formula | C26H39NO2 |
| Exact Mass | 397.298079 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DMZlmRWctwi |
|---|---|
| Name | Quinoline-6-carboxylic acid, hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 397.298079498 u |
| Formula | C26H39NO2 |
| InChI | InChI=1S/C26H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-29-26(28)24-18-19-25-23(22-24)17-16-20-27-25/h16-20,22H,2-15,21H2,1H3 |
| InChIKey | MBBBPFXWLDFSDO-UHFFFAOYSA-N |
| Molecular Weight | 397.603 g/mol |
| SMILES | C12=CC=C(C=C2C=CC=N1)C(OCCCCCCCCCCCCCCCC)=O |