| SpectraBase Compound ID | KrQjsQGWwIj |
|---|---|
| InChI | InChI=1S/C15H24O4/c1-3-5-6-9-13-19-15(17)11-8-7-10-14(16)18-12-4-2/h2H,3,5-13H2,1H3 |
| InChIKey | VLMMBIMDGHGNNT-UHFFFAOYSA-N |
| Mol Weight | 268.35 g/mol |
| Molecular Formula | C15H24O4 |
| Exact Mass | 268.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5q7NQOyIiA8 |
|---|---|
| Name | Adipic acid, hexyl propargyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.167459249 u |
| Formula | C15H24O4 |
| InChI | InChI=1S/C15H24O4/c1-3-5-6-9-13-19-15(17)11-8-7-10-14(16)18-12-4-2/h2H,3,5-13H2,1H3 |
| InChIKey | VLMMBIMDGHGNNT-UHFFFAOYSA-N |
| Molecular Weight | 268.353 g/mol |
| SMILES | C(C(=O)OCC#C)CCCC(OCCCCCC)=O |