| SpectraBase Compound ID | CFEzgmsCuN3 |
|---|---|
| InChI | InChI=1S/C33H61NO/c1-32(2)28-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-29-33(35)34-30-26-27-31-34/h11,13,19,21,32H,3-10,12,14-18,20,22-31H2,1-2H3/b13-11+,21-19+ |
| InChIKey | JIWJXWZDCJZINL-NNKGRWTESA-N |
| Mol Weight | 487.9 g/mol |
| Molecular Formula | C33H61NO |
| Exact Mass | 487.475316 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LZ8Fgq95v6U |
|---|---|
| Name | N-(27-Methyl-5,9-octacosadienoyl)-pyrrolidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 487.475315587 u |
| Formula | C33H61NO |
| InChI | InChI=1S/C33H61NO/c1-32(2)28-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-29-33(35)34-30-26-27-31-34/h11,13,19,21,32H,3-10,12,14-18,20,22-31H2,1-2H3/b13-11+,21-19+ |
| InChIKey | JIWJXWZDCJZINL-NNKGRWTESA-N |
| Molecular Weight | 487.857 g/mol |
| SMILES | C1N(CCC1)C(CCC\C=C\CC\C=C\CCCCCCCCCCCCCCCCC(C)C)=O |