| SpectraBase Compound ID | 7PbgWxcprCW |
|---|---|
| InChI | InChI=1S/C27H53NO/c1-26(2)22-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-23-27(29)28-24-20-21-25-28/h26H,3-25H2,1-2H3 |
| InChIKey | VHRDAXNAHOAOTI-UHFFFAOYSA-N |
| Mol Weight | 407.7 g/mol |
| Molecular Formula | C27H53NO |
| Exact Mass | 407.412715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3LdpnLzkdsF |
|---|---|
| Name | 21-Methyl-docosanoic acid, pyrrolidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 407.412715330 u |
| Formula | C27H53NO |
| InChI | InChI=1S/C27H53NO/c1-26(2)22-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-23-27(29)28-24-20-21-25-28/h26H,3-25H2,1-2H3 |
| InChIKey | VHRDAXNAHOAOTI-UHFFFAOYSA-N |
| Molecular Weight | 407.727 g/mol |
| SMILES | C(N1CCCC1)(CCCCCCCCCCCCCCCCCCCC(C)C)=O |