| SpectraBase Compound ID | EumcqR5Jtay |
|---|---|
| InChI | InChI=1S/C22H26O4/c1-2-3-4-5-6-12-17-25-21(23)19-15-10-11-16-20(19)22(24)26-18-13-8-7-9-14-18/h7-11,13-16H,2-6,12,17H2,1H3 |
| InChIKey | TWADXTDDQIBWAD-UHFFFAOYSA-N |
| Mol Weight | 354.45 g/mol |
| Molecular Formula | C22H26O4 |
| Exact Mass | 354.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A9LOe1Enr5p |
|---|---|
| Name | Phthalic acid, octyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.183109313 u |
| Formula | C22H26O4 |
| InChI | InChI=1S/C22H26O4/c1-2-3-4-5-6-12-17-25-21(23)19-15-10-11-16-20(19)22(24)26-18-13-8-7-9-14-18/h7-11,13-16H,2-6,12,17H2,1H3 |
| InChIKey | TWADXTDDQIBWAD-UHFFFAOYSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | CCCCCCCCOC(C1=C(C=CC=C1)C(OC1=CC=CC=C1)=O)=O |