| SpectraBase Compound ID | 4TpWhDBxJsS |
|---|---|
| InChI | InChI=1S/C19H34O4/c1-4-5-6-7-8-9-12-15-22-18(20)13-10-11-14-19(21)23-16-17(2)3/h8-9,17H,4-7,10-16H2,1-3H3/b9-8- |
| InChIKey | OWGUKJPNAXOSDA-HJWRWDBZSA-N |
| Mol Weight | 326.5 g/mol |
| Molecular Formula | C19H34O4 |
| Exact Mass | 326.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CgNAf0Q5Bro |
|---|---|
| Name | Adipic acid, cis-non-3-enyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.245709571 u |
| Formula | C19H34O4 |
| InChI | InChI=1S/C19H34O4/c1-4-5-6-7-8-9-12-15-22-18(20)13-10-11-14-19(21)23-16-17(2)3/h8-9,17H,4-7,10-16H2,1-3H3/b9-8- |
| InChIKey | OWGUKJPNAXOSDA-HJWRWDBZSA-N |
| Molecular Weight | 326.477 g/mol |
| SMILES | C(CCCC(OCC\C=C/CCCCC)=O)C(OCC(C)C)=O |