| SpectraBase Compound ID | 3MJWZ8xtfC7 |
|---|---|
| InChI | InChI=1S/C22H26O4/c1-2-3-4-10-16-25-21(23)19-13-8-9-14-20(19)22(24)26-17-15-18-11-6-5-7-12-18/h5-9,11-14H,2-4,10,15-17H2,1H3 |
| InChIKey | FCPYGKDCNKIYJF-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 | 17EFX0QlktS |
|---|---|
| Name | Phthalic acid, hexyl 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/c1-2-3-4-10-16-25-21(23)19-13-8-9-14-20(19)22(24)26-17-15-18-11-6-5-7-12-18/h5-9,11-14H,2-4,10,15-17H2,1H3 |
| InChIKey | FCPYGKDCNKIYJF-UHFFFAOYSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | CCCCCCOC(C1=C(C(OCCC2=CC=CC=C2)=O)C=CC=C1)=O |