| SpectraBase Compound ID | 5hgEwHdxUlH |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-3-5-6-7-8-9-12-16-22-18(20)14-11-10-13-17(19)21-15-4-2/h8-9H,3-7,10-16H2,1-2H3/b9-8- |
| InChIKey | FXCKRODYHIEWEO-HJWRWDBZSA-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 | 7o11SOIk1wt |
|---|---|
| Name | Adipic acid, cis-non-3-enyl propyl 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/c1-3-5-6-7-8-9-12-16-22-18(20)14-11-10-13-17(19)21-15-4-2/h8-9H,3-7,10-16H2,1-2H3/b9-8- |
| InChIKey | FXCKRODYHIEWEO-HJWRWDBZSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C(CCCC(OCC\C=C/CCCCC)=O)C(OCCC)=O |