| SpectraBase Compound ID | LN1I1n3hAXG |
|---|---|
| InChI | InChI=1S/C21H34O4/c1-3-5-7-8-9-10-11-12-13-14-15-19-25-21(23)17-16-20(22)24-18-6-4-2/h4,6H,3,5,7-13,16-19H2,1-2H3/b6-4+ |
| InChIKey | MKTYYSMDIFDHNX-GQCTYLIASA-N |
| Mol Weight | 350.5 g/mol |
| Molecular Formula | C21H34O4 |
| Exact Mass | 350.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DkebsqiF2Nv |
|---|---|
| Name | Succinic acid, tridec-2-yn-1-yl but-2-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.245709571 u |
| Formula | C21H34O4 |
| InChI | InChI=1S/C21H34O4/c1-3-5-7-8-9-10-11-12-13-14-15-19-25-21(23)17-16-20(22)24-18-6-4-2/h4,6H,3,5,7-13,16-19H2,1-2H3/b6-4+ |
| InChIKey | MKTYYSMDIFDHNX-GQCTYLIASA-N |
| Molecular Weight | 350.499 g/mol |
| SMILES | C(CC(OCC#CCCCCCCCCCC)=O)C(OC\C=C\C)=O |