| SpectraBase Compound ID | GztLnJOdvdV |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-5-9-15(4)21-17(19)12-7-6-11-16(18)20-13-8-10-14(2)3/h5,14-15H,1,6-13H2,2-4H3 |
| InChIKey | LUMKSNNCXNFFIL-UHFFFAOYSA-N |
| Mol Weight | 298.42 g/mol |
| Molecular Formula | C17H30O4 |
| Exact Mass | 298.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8LHNXzBLi4b |
|---|---|
| Name | Adipic acid, isohexyl pent-4-en-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.214409442 u |
| Formula | C17H30O4 |
| InChI | InChI=1S/C17H30O4/c1-5-9-15(4)21-17(19)12-7-6-11-16(18)20-13-8-10-14(2)3/h5,14-15H,1,6-13H2,2-4H3 |
| InChIKey | LUMKSNNCXNFFIL-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C)CC=C)=O)CC(OCCCC(C)C)=O |