| SpectraBase Compound ID | 5KBnsl53JlZ |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-3-5-6-9-15-23-19(21)13-7-8-14-20(22)24-18-12-10-11-17(4-2)16-18/h10-12,16H,3-9,13-15H2,1-2H3 |
| InChIKey | DVLVCDLHGUNYIK-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L4yEthAgkLI |
|---|---|
| Name | Adipic acid, 3-ethylphenyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-3-5-6-9-15-23-19(21)13-7-8-14-20(22)24-18-12-10-11-17(4-2)16-18/h10-12,16H,3-9,13-15H2,1-2H3 |
| InChIKey | DVLVCDLHGUNYIK-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(CCC(OC1=CC=CC(CC)=C1)=O)CC(OCCCCCC)=O |