| SpectraBase Compound ID | FYMBIEYVOVQ |
|---|---|
| InChI | InChI=1S/C23H42O2/c1-3-5-7-9-11-13-14-16-18-20-22-25-23(24)21-19-17-15-12-10-8-6-4-2/h2H,3,5-22H2,1H3 |
| InChIKey | CPUMHCZZUYHHHY-UHFFFAOYSA-N |
| Mol Weight | 350.6 g/mol |
| Molecular Formula | C23H42O2 |
| Exact Mass | 350.318481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FkjIylFd5x2 |
|---|---|
| Name | Undec-10-ynoic acid, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.318480590 u |
| Formula | C23H42O2 |
| InChI | InChI=1S/C23H42O2/c1-3-5-7-9-11-13-14-16-18-20-22-25-23(24)21-19-17-15-12-10-8-6-4-2/h2H,3,5-22H2,1H3 |
| InChIKey | CPUMHCZZUYHHHY-UHFFFAOYSA-N |
| Molecular Weight | 350.587 g/mol |
| SMILES | C(CCCC(OCCCCCCCCCCCC)=O)CCCCC#C |