| SpectraBase Compound ID | Hfubk3LMSQX |
|---|---|
| InChI | InChI=1S/C31H61NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-31(33)32-29-26-27-30-32/h2-30H2,1H3 |
| InChIKey | WYBJITSWCZVFGI-UHFFFAOYSA-N |
| Mol Weight | 463.8 g/mol |
| Molecular Formula | C31H61NO |
| Exact Mass | 463.475316 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GnmIEqDkkPV |
|---|---|
| Name | Heptacosanoic acid, pyrrolidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 463.475315587 u |
| Formula | C31H61NO |
| InChI | InChI=1S/C31H61NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-31(33)32-29-26-27-30-32/h2-30H2,1H3 |
| InChIKey | WYBJITSWCZVFGI-UHFFFAOYSA-N |
| Molecular Weight | 463.835 g/mol |
| SMILES | C(N1CCCC1)(CCCCCCCCCCCCCCCCCCCCCCCCCC)=O |