| SpectraBase Compound ID | IH3me2IYEpS |
|---|---|
| InChI | InChI=1S/C21H41NO/c1-3-4-5-10-15-20(2)16-11-8-6-7-9-12-17-21(23)22-18-13-14-19-22/h20H,3-19H2,1-2H3 |
| InChIKey | CNOHVMZKBSURPI-UHFFFAOYSA-N |
| Mol Weight | 323.6 g/mol |
| Molecular Formula | C21H41NO |
| Exact Mass | 323.318815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jv6c79pid8i |
|---|---|
| Name | 10-Methyl-hexadecanoic acid, pyrrolidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.318814943 u |
| Formula | C21H41NO |
| InChI | InChI=1S/C21H41NO/c1-3-4-5-10-15-20(2)16-11-8-6-7-9-12-17-21(23)22-18-13-14-19-22/h20H,3-19H2,1-2H3 |
| InChIKey | CNOHVMZKBSURPI-UHFFFAOYSA-N |
| Molecular Weight | 323.565 g/mol |
| SMILES | C1N(CCC1)C(CCCCCCCCC(CCCCCC)C)=O |