| SpectraBase Compound ID | C8tRONaA4xk |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-9-17(21(3,4)5)25-19(23)15-13-11-12-14-16(15)20(24)26-18(10-2)22(6,7)8/h11-14,17-18H,9-10H2,1-8H3 |
| InChIKey | OUAIKFCXUVPKPJ-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 | 8av2h05UQW9 |
|---|---|
| Name | Phthalic acid, di(2,2-dimethylpent-3-yl) 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/c1-9-17(21(3,4)5)25-19(23)15-13-11-12-14-16(15)20(24)26-18(10-2)22(6,7)8/h11-14,17-18H,9-10H2,1-8H3 |
| InChIKey | OUAIKFCXUVPKPJ-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C1=CC(=C(C=C1)C(OC(CC)C(C)(C)C)=O)C(OC(CC)C(C)(C)C)=O |