| SpectraBase Compound ID | 6qFy6elBjW5 |
|---|---|
| InChI | InChI=1S/C22H26O4/c1-3-4-5-10-15-25-21(23)19-13-8-9-14-20(19)22(24)26-16-18-12-7-6-11-17(18)2/h6-9,11-14H,3-5,10,15-16H2,1-2H3 |
| InChIKey | AQURXDGIDLTBQQ-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 | CRnmR1b1a6o |
|---|---|
| Name | Phthalic acid, hexyl 2-methylbenzyl 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/c1-3-4-5-10-15-25-21(23)19-13-8-9-14-20(19)22(24)26-16-18-12-7-6-11-17(18)2/h6-9,11-14H,3-5,10,15-16H2,1-2H3 |
| InChIKey | AQURXDGIDLTBQQ-UHFFFAOYSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | C1=CC(=C(C=C1)C(=O)OCC1=CC=CC=C1C)C(=O)OCCCCCC |