| SpectraBase Compound ID | 5N8DdJMwW98 |
|---|---|
| InChI | InChI=1S/C31H61NO/c1-3-4-20-25-30(2)26-21-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-22-27-31(33)32-28-23-24-29-32/h30H,3-29H2,1-2H3 |
| InChIKey | VGMSNPPSGZPXKJ-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 | HSGrn2KRyCb |
|---|---|
| Name | 21-Methyl-hexacosanoic 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/c1-3-4-20-25-30(2)26-21-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-22-27-31(33)32-28-23-24-29-32/h30H,3-29H2,1-2H3 |
| InChIKey | VGMSNPPSGZPXKJ-UHFFFAOYSA-N |
| Molecular Weight | 463.835 g/mol |
| SMILES | C(N1CCCC1)(CCCCCCCCCCCCCCCCCCCC(CCCCC)C)=O |