| SpectraBase Compound ID | FlLgafJ0e7i |
|---|---|
| InChI | InChI=1S/C19H32O4/c1-4-7-8-9-12-16-22-18(20)14-10-11-15-19(21)23-17(6-3)13-5-2/h17H,4,6-12,14-16H2,1-3H3 |
| InChIKey | AZXDPHRXEKVATL-UHFFFAOYSA-N |
| Mol Weight | 324.5 g/mol |
| Molecular Formula | C19H32O4 |
| Exact Mass | 324.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CNC5rWSmYiC |
|---|---|
| Name | Adipic acid, heptyl hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.230059506 u |
| Formula | C19H32O4 |
| InChI | InChI=1S/C19H32O4/c1-4-7-8-9-12-16-22-18(20)14-10-11-15-19(21)23-17(6-3)13-5-2/h17H,4,6-12,14-16H2,1-3H3 |
| InChIKey | AZXDPHRXEKVATL-UHFFFAOYSA-N |
| Molecular Weight | 324.461 g/mol |
| SMILES | CCCCCCCOC(CCCCC(=O)OC(C#CC)CC)=O |