| SpectraBase Compound ID | LDaBA2UM8pD |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-4-15-7-5-6-8-18(15)24-20(22)17-11-9-16(10-12-17)19(21)23-13-14(2)3/h9-12,14-15,18H,4-8,13H2,1-3H3 |
| InChIKey | MHUDWTYZSLXPKC-UHFFFAOYSA-N |
| Mol Weight | 332.44 g/mol |
| Molecular Formula | C20H28O4 |
| Exact Mass | 332.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GwUGRWuNYKG |
|---|---|
| Name | Terephthalic acid, 2-ethylcyclohexyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.198759378 u |
| Formula | C20H28O4 |
| InChI | InChI=1S/C20H28O4/c1-4-15-7-5-6-8-18(15)24-20(22)17-11-9-16(10-12-17)19(21)23-13-14(2)3/h9-12,14-15,18H,4-8,13H2,1-3H3 |
| InChIKey | MHUDWTYZSLXPKC-UHFFFAOYSA-N |
| Molecular Weight | 332.440 g/mol |
| SMILES | C1=CC(=CC=C1C(OCC(C)C)=O)C(OC1CCCCC1CC)=O |