| SpectraBase Compound ID | JhXrVY3A2lU |
|---|---|
| InChI | InChI=1S/C21H34O4/c1-4-6-7-8-9-10-11-12-13-14-18-24-20(22)16-15-17-21(23)25-19(3)5-2/h2,13-14,19H,4,6-12,15-18H2,1,3H3/b14-13+ |
| InChIKey | VPYIHOYMMCFEAZ-BUHFOSPRSA-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 | CM79Ebn2uEy |
|---|---|
| Name | Glutaric acid, dodec-2-en-1-yl but-3-yn-2-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/c1-4-6-7-8-9-10-11-12-13-14-18-24-20(22)16-15-17-21(23)25-19(3)5-2/h2,13-14,19H,4,6-12,15-18H2,1,3H3/b14-13+ |
| InChIKey | VPYIHOYMMCFEAZ-BUHFOSPRSA-N |
| Molecular Weight | 350.499 g/mol |
| SMILES | C(CCC(OC\C=C\CCCCCCCCC)=O)C(OC(C)C#C)=O |