| SpectraBase Compound ID | 4qtoJ235Skv |
|---|---|
| InChI | InChI=1S/C22H43NO/c1-3-16-21(2)17-12-10-8-6-4-5-7-9-11-13-18-22(24)23-19-14-15-20-23/h21H,3-20H2,1-2H3 |
| InChIKey | WHHIDRNJOJYGSG-UHFFFAOYSA-N |
| Mol Weight | 337.6 g/mol |
| Molecular Formula | C22H43NO |
| Exact Mass | 337.334465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HtU1tTFUxYq |
|---|---|
| Name | 14-Methyl-heptadecanoic acid, pyrrolidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.334465008 u |
| Formula | C22H43NO |
| InChI | InChI=1S/C22H43NO/c1-3-16-21(2)17-12-10-8-6-4-5-7-9-11-13-18-22(24)23-19-14-15-20-23/h21H,3-20H2,1-2H3 |
| InChIKey | WHHIDRNJOJYGSG-UHFFFAOYSA-N |
| Molecular Weight | 337.592 g/mol |
| SMILES | C(N1CCCC1)(CCCCCCCCCCCCC(CCC)C)=O |