| SpectraBase Compound ID | A4DWJW2x5oE |
|---|---|
| InChI | InChI=1S/C29H57NO/c1-5-27(2)24-22-20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-23-25-28-30-29(3,4)26-31-28/h27H,5-26H2,1-4H3 |
| InChIKey | IDIVVCSLJZBDDQ-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 | 2B0ICmqeSIA |
|---|---|
| Name | 22-Methyl-tetracosanoic acid, dmox derivative |
| 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/c1-5-27(2)24-22-20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-23-25-28-30-29(3,4)26-31-28/h27H,5-26H2,1-4H3 |
| InChIKey | IDIVVCSLJZBDDQ-UHFFFAOYSA-N |
| Molecular Weight | 435.781 g/mol |
| SMILES | C=1(OCC(N1)(C)C)CCCCCCCCCCCCCCCCCCCCC(CC)C |