| SpectraBase Compound ID | FDly1pF14z6 |
|---|---|
| InChI | InChI=1S/C22H26O4/c1-3-5-10-16-25-21(23)18-13-7-8-14-19(18)22(24)26-20-15-9-6-12-17(20)11-4-2/h6-9,12-15H,3-5,10-11,16H2,1-2H3 |
| InChIKey | SOEXMKATTZRJGE-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 | EBye27mhv8K |
|---|---|
| Name | Phthalic acid, pentyl 2-propylphenyl 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/c1-3-5-10-16-25-21(23)18-13-7-8-14-19(18)22(24)26-20-15-9-6-12-17(20)11-4-2/h6-9,12-15H,3-5,10-11,16H2,1-2H3 |
| InChIKey | SOEXMKATTZRJGE-UHFFFAOYSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | C1(=CC=CC=C1C(OCCCCC)=O)C(OC=1C(CCC)=CC=CC1)=O |