| SpectraBase Compound ID | IoNBYyL66WQ |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-4-17-10-7-11-18(15-17)24-20(22)13-6-5-12-19(21)23-14-8-9-16(2)3/h7,10-11,15-16H,4-6,8-9,12-14H2,1-3H3 |
| InChIKey | NXALPGISXMGLFX-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 | LfqQKCoKJAR |
|---|---|
| Name | Adipic acid, 3-ethylphenyl isohexyl 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/c1-4-17-10-7-11-18(15-17)24-20(22)13-6-5-12-19(21)23-14-8-9-16(2)3/h7,10-11,15-16H,4-6,8-9,12-14H2,1-3H3 |
| InChIKey | NXALPGISXMGLFX-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(CCC(OC1=CC=CC(CC)=C1)=O)CC(OCCCC(C)C)=O |