| SpectraBase Compound ID | I0B5uknap3Z |
|---|---|
| InChI | InChI=1S/C22H26O4/c1-17(2)9-8-15-25-21(23)19-12-6-7-13-20(19)22(24)26-16-14-18-10-4-3-5-11-18/h3-7,10-13,17H,8-9,14-16H2,1-2H3 |
| InChIKey | IGFQHWBKHWBORG-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 | ChaYNjrSmrA |
|---|---|
| Name | Phthalic acid, isohexyl 2-phenylethyl 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/c1-17(2)9-8-15-25-21(23)19-12-6-7-13-20(19)22(24)26-16-14-18-10-4-3-5-11-18/h3-7,10-13,17H,8-9,14-16H2,1-2H3 |
| InChIKey | IGFQHWBKHWBORG-UHFFFAOYSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | C(C1=CC=CC=C1C(OCCCC(C)C)=O)(OCCC1=CC=CC=C1)=O |