| SpectraBase Compound ID | I2reHj1nGux |
|---|---|
| InChI | InChI=1S/C17H28O4/c1-3-5-6-7-8-11-15-21-17(19)13-10-9-12-16(18)20-14-4-2/h2H,3,5-15H2,1H3 |
| InChIKey | MITVRYLCOBNKFN-UHFFFAOYSA-N |
| Mol Weight | 296.41 g/mol |
| Molecular Formula | C17H28O4 |
| Exact Mass | 296.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FYdJqsT2QiR |
|---|---|
| Name | Adipic acid, octyl propargyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.198759378 u |
| Formula | C17H28O4 |
| InChI | InChI=1S/C17H28O4/c1-3-5-6-7-8-11-15-21-17(19)13-10-9-12-16(18)20-14-4-2/h2H,3,5-15H2,1H3 |
| InChIKey | MITVRYLCOBNKFN-UHFFFAOYSA-N |
| Molecular Weight | 296.407 g/mol |
| SMILES | C(CC(=O)OCC#C)CCC(OCCCCCCCC)=O |