| SpectraBase Compound ID | Jk5gtFlrG08 |
|---|---|
| InChI | InChI=1S/C29H53NO/c1-27(2)24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-28-30-29(3,4)26-31-28/h9,11,17,19,27H,5-8,10,12-16,18,20-26H2,1-4H3/b11-9-,19-17- |
| InChIKey | XXYYFKCYXHZDQE-CCVDTEMHSA-N |
| Mol Weight | 431.7 g/mol |
| Molecular Formula | C29H53NO |
| Exact Mass | 431.412715 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 | K7QFIj9uR5m |
|---|---|
| Name | 23-Methyl-tetracosa-5,9-dienoic acid, dmox derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 431.412715330 u |
| Formula | C29H53NO |
| InChI | InChI=1S/C29H53NO/c1-27(2)24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-28-30-29(3,4)26-31-28/h9,11,17,19,27H,5-8,10,12-16,18,20-26H2,1-4H3/b11-9-,19-17- |
| InChIKey | XXYYFKCYXHZDQE-CCVDTEMHSA-N |
| Molecular Weight | 431.749 g/mol |
| SMILES | C(CC\C=C/CC\C=C/CCCC1=NC(C)(C)CO1)CCCCCCCCCC(C)C |