| SpectraBase Compound ID | 6Ep3JjJ9M9g |
|---|---|
| InChI | InChI=1S/C20H39NO/c1-3-19(2)15-11-9-7-5-4-6-8-10-12-16-20(22)21-17-13-14-18-21/h19H,3-18H2,1-2H3 |
| InChIKey | KBGRQOADSUNWPC-UHFFFAOYSA-N |
| Mol Weight | 309.5 g/mol |
| Molecular Formula | C20H39NO |
| Exact Mass | 309.303165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 67ucxd8vRvh |
|---|---|
| Name | 13-Methylpentadecanoic acid, pyrrolidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.303164879 u |
| Formula | C20H39NO |
| InChI | InChI=1S/C20H39NO/c1-3-19(2)15-11-9-7-5-4-6-8-10-12-16-20(22)21-17-13-14-18-21/h19H,3-18H2,1-2H3 |
| InChIKey | KBGRQOADSUNWPC-UHFFFAOYSA-N |
| Molecular Weight | 309.538 g/mol |
| SMILES | C1N(CCC1)C(CCCCCCCCCCCC(CC)C)=O |