| SpectraBase Compound ID | 9Cr9aKFK3qW |
|---|---|
| InChI | InChI=1S/C19H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-7,10,13-18H2,1-2H3 |
| InChIKey | PTNIMRRTTQLUQW-UHFFFAOYSA-N |
| Mol Weight | 290.45 g/mol |
| Molecular Formula | C19H30O2 |
| Exact Mass | 290.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BTDBhmWR4Q9 |
|---|---|
| Name | 8,11-Octadecadiynoic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.224580204 u |
| Formula | C19H30O2 |
| InChI | InChI=1S/C19H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-7,10,13-18H2,1-2H3 |
| InChIKey | PTNIMRRTTQLUQW-UHFFFAOYSA-N |
| SMILES | C(CC#CCC#CCCCCCC)CCCCC(OC)=O |