| SpectraBase Compound ID | IsrrOiQiD6z |
|---|---|
| InChI | InChI=1S/C20H34O2/c1-3-5-7-9-10-11-12-13-14-15-17-19-22-20(21)18-16-8-6-4-2/h16,18H,3-14,19H2,1-2H3/b18-16+ |
| InChIKey | YNIDCNRJHZEQKP-FBMGVBCBSA-N |
| Mol Weight | 306.5 g/mol |
| Molecular Formula | C20H34O2 |
| Exact Mass | 306.25588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KR8MsImT7QE |
|---|---|
| Name | 2-Heptenoic acid, tridec-2-yn-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.255880333 u |
| Formula | C20H34O2 |
| InChI | InChI=1S/C20H34O2/c1-3-5-7-9-10-11-12-13-14-15-17-19-22-20(21)18-16-8-6-4-2/h16,18H,3-14,19H2,1-2H3/b18-16+ |
| InChIKey | YNIDCNRJHZEQKP-FBMGVBCBSA-N |
| SMILES | C(\C=C\CCCC)(OCC#CCCCCCCCCCC)=O |