| SpectraBase Compound ID | EB1Yr29poVF |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-6-17(7-2)13-14-18(8-3)26-22(24)20-12-10-9-11-19(20)21(23)25-15-16(4)5/h9-12,16-18H,6-8,13-15H2,1-5H3 |
| InChIKey | OOTWJNWJPQZENR-UHFFFAOYSA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C22H34O4 |
| Exact Mass | 362.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5dyc8RUVQj5 |
|---|---|
| Name | Phthalic acid, 6-ethyl-3-octyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.245709571 u |
| Formula | C22H34O4 |
| InChI | InChI=1S/C22H34O4/c1-6-17(7-2)13-14-18(8-3)26-22(24)20-12-10-9-11-19(20)21(23)25-15-16(4)5/h9-12,16-18H,6-8,13-15H2,1-5H3 |
| InChIKey | OOTWJNWJPQZENR-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C(C1=C(C=CC=C1)C(=O)OCC(C)C)(OC(CC)CCC(CC)CC)=O |