| SpectraBase Compound ID | G1CAs2eQUY2 |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-5-6-7-8-9-10-13-18(4)26-22(24)20-15-12-11-14-19(20)21(23)25-16-17(2)3/h11-12,14-15,17-18H,5-10,13,16H2,1-4H3 |
| InChIKey | OXGUQDRTUKQJFK-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 | 8dImXt6wmDw |
|---|---|
| Name | Phthalic acid, dec-2-yl 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/c1-5-6-7-8-9-10-13-18(4)26-22(24)20-15-12-11-14-19(20)21(23)25-16-17(2)3/h11-12,14-15,17-18H,5-10,13,16H2,1-4H3 |
| InChIKey | OXGUQDRTUKQJFK-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C1=CC(=C(C=C1)C(OCC(C)C)=O)C(OC(C)CCCCCCCC)=O |