| SpectraBase Compound ID | GWT0sNqgdZc |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-4-7-10-16(6-3)15-24-20(22)18-12-9-11-17(14-18)19(21)23-13-8-5-2/h9,11-12,14,16H,4-8,10,13,15H2,1-3H3 |
| InChIKey | IEPSFYBDYXIRGR-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 | HFNlTAKJGhL |
|---|---|
| Name | Isophthalic acid, butyl 2-ethylhexyl 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/c1-4-7-10-16(6-3)15-24-20(22)18-12-9-11-17(14-18)19(21)23-13-8-5-2/h9,11-12,14,16H,4-8,10,13,15H2,1-3H3 |
| InChIKey | IEPSFYBDYXIRGR-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | CCCCOC(C1=CC(=CC=C1)C(OCC(CCCC)CC)=O)=O |