| SpectraBase Compound ID | KupIUMHRuZZ |
|---|---|
| InChI | InChI=1S/C18H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-5,10-17H2,1-2H3 |
| InChIKey | DERVSFDSKXULFL-UHFFFAOYSA-N |
| Mol Weight | 276.42 g/mol |
| Molecular Formula | C18H28O2 |
| Exact Mass | 276.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CrJb7LJSTRN |
|---|---|
| Name | Methyl 10,12-heptadecadiynoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.208930140 u |
| Formula | C18H28O2 |
| InChI | InChI=1S/C18H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-5,10-17H2,1-2H3 |
| InChIKey | DERVSFDSKXULFL-UHFFFAOYSA-N |
| Molecular Weight | 276.420 g/mol |
| SMILES | C(CCCCCCCC#CC#CCCCC)C(=O)OC |