| SpectraBase Compound ID | FI1LNkpDi3h |
|---|---|
| InChI | InChI=1S/C18H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-6,9,12,15-17H2,1-2H3 |
| InChIKey | VDCFKSNWTRZOAQ-UHFFFAOYSA-N |
| Mol Weight | 272.39 g/mol |
| Molecular Formula | C18H24O2 |
| Exact Mass | 272.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fs4611xMN8Z |
|---|---|
| Name | 5,8,11-Heptadecatriynoic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.177630011 u |
| Formula | C18H24O2 |
| InChI | InChI=1S/C18H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-6,9,12,15-17H2,1-2H3 |
| InChIKey | VDCFKSNWTRZOAQ-UHFFFAOYSA-N |
| SMILES | C(#CCCCC(OC)=O)CC#CCC#CCCCCC |