| SpectraBase Compound ID | D3cR8m5LHjt |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-3-5-7-8-12-16-22-18(20)14-10-9-13-17(19)21-15-11-6-4-2/h4H,2-3,5-16H2,1H3 |
| InChIKey | JMCMLYANLGPJJS-UHFFFAOYSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C18H32O4 |
| Exact Mass | 312.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BxO8O5aDQuB |
|---|---|
| Name | Adipic acid, heptyl pent-4-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.230059506 u |
| Formula | C18H32O4 |
| InChI | InChI=1S/C18H32O4/c1-3-5-7-8-12-16-22-18(20)14-10-9-13-17(19)21-15-11-6-4-2/h4H,2-3,5-16H2,1H3 |
| InChIKey | JMCMLYANLGPJJS-UHFFFAOYSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C(CCC(OCCCC=C)=O)CC(OCCCCCCC)=O |