| SpectraBase Compound ID | HYyp6aqi68d |
|---|---|
| InChI | InChI=1S/C22H36ClNO2/c23-17-13-11-9-7-5-3-1-2-4-6-8-10-12-16-22(25)26-20-21-15-14-18-24-19-21/h14-15,18-19H,1-13,16-17,20H2 |
| InChIKey | OLZOQWNSMVQRGQ-UHFFFAOYSA-N |
| Mol Weight | 382.0 g/mol |
| Molecular Formula | C22H36ClNO2 |
| Exact Mass | 381.243457 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BDE08j2Z099 |
|---|---|
| Name | Picolinyl 16-chloro-hexadecanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 381.243457101 u |
| Formula | C22H36ClNO2 |
| InChI | InChI=1S/C22H36ClNO2/c23-17-13-11-9-7-5-3-1-2-4-6-8-10-12-16-22(25)26-20-21-15-14-18-24-19-21/h14-15,18-19H,1-13,16-17,20H2 |
| InChIKey | OLZOQWNSMVQRGQ-UHFFFAOYSA-N |
| Molecular Weight | 381.988 g/mol |
| SMILES | C(CC(=O)OCC1=CC=CN=C1)CCCCCCCCCCCCCCl |