| SpectraBase Compound ID | C2vMrG2Dpqq |
|---|---|
| InChI | InChI=1S/C29H57NO/c1-3-4-5-15-18-23-28(2)24-19-16-13-11-9-7-6-8-10-12-14-17-20-25-29(31)30-26-21-22-27-30/h28H,3-27H2,1-2H3 |
| InChIKey | CHWOCBPFQBLWPA-UHFFFAOYSA-N |
| Mol Weight | 435.8 g/mol |
| Molecular Formula | C29H57NO |
| Exact Mass | 435.444015 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HFP8566GECo |
|---|---|
| Name | 17-Methyl-tetracosanoic acid, pyrrolidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 435.444015458 u |
| Formula | C29H57NO |
| InChI | InChI=1S/C29H57NO/c1-3-4-5-15-18-23-28(2)24-19-16-13-11-9-7-6-8-10-12-14-17-20-25-29(31)30-26-21-22-27-30/h28H,3-27H2,1-2H3 |
| InChIKey | CHWOCBPFQBLWPA-UHFFFAOYSA-N |
| Molecular Weight | 435.781 g/mol |
| SMILES | C(N1CCCC1)(CCCCCCCCCCCCCCCC(CCCCCCC)C)=O |