| SpectraBase Compound ID | 81u6J6sX4Bz |
|---|---|
| InChI | InChI=1S/C28H55NO/c1-27(2)23-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-24-28(30)29-25-21-22-26-29/h27H,3-26H2,1-2H3 |
| InChIKey | VDLZXPLIUNMOAL-UHFFFAOYSA-N |
| Mol Weight | 421.8 g/mol |
| Molecular Formula | C28H55NO |
| Exact Mass | 421.428365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DLxI7e8AgD0 |
|---|---|
| Name | 22-Methyl-tricosanoic acid, pyrrolidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 421.428365394 u |
| Formula | C28H55NO |
| InChI | InChI=1S/C28H55NO/c1-27(2)23-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-24-28(30)29-25-21-22-26-29/h27H,3-26H2,1-2H3 |
| InChIKey | VDLZXPLIUNMOAL-UHFFFAOYSA-N |
| Molecular Weight | 421.754 g/mol |
| SMILES | C(N1CCCC1)(CCCCCCCCCCCCCCCCCCCCC(C)C)=O |