| SpectraBase Compound ID | DeZk0appC5j |
|---|---|
| InChI | InChI=1S/C20H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23-2/h3-9,12-18H2,1-2H3 |
| InChIKey | PJTRRUACLWOCAD-UHFFFAOYSA-N |
| Mol Weight | 322.5 g/mol |
| Molecular Formula | C20H34O3 |
| Exact Mass | 322.250795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F8FTNeRVhv3 |
|---|---|
| Name | Methyl 2-oxononadec-10-ynoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.250794952 u |
| Formula | C20H34O3 |
| InChI | InChI=1S/C20H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23-2/h3-9,12-18H2,1-2H3 |
| InChIKey | PJTRRUACLWOCAD-UHFFFAOYSA-N |
| Molecular Weight | 322.489 g/mol |
| SMILES | C(C(CCCCCCCC#CCCCCCCCC)=O)(=O)OC |