| SpectraBase Compound ID | 5DjsYMsSQa3 |
|---|---|
| InChI | InChI=1S/C25H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h23-24H,2-22H2,1H3,(H,26,27)/b24-23+ |
| InChIKey | BKYOGHHPWJADCZ-WCWDXBQESA-N |
| Mol Weight | 380.7 g/mol |
| Molecular Formula | C25H48O2 |
| Exact Mass | 380.365431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Boi70mwjaCD |
|---|---|
| Name | (E)-2-Pentacosenoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.365430784 u |
| Formula | C25H48O2 |
| InChI | InChI=1S/C25H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h23-24H,2-22H2,1H3,(H,26,27)/b24-23+ |
| InChIKey | BKYOGHHPWJADCZ-WCWDXBQESA-N |
| Molecular Weight | 380.657 g/mol |
| SMILES | C(\C=C\CCCCCCCCCCCCCCCCCCCCCC)(=O)O |