| SpectraBase Compound ID | 9urPVdNrc1b |
|---|---|
| InChI | InChI=1S/C22H26O4/c1-3-4-5-6-14-25-21(23)19-10-12-20(13-11-19)22(24)26-16-18-9-7-8-17(2)15-18/h7-13,15H,3-6,14,16H2,1-2H3 |
| InChIKey | ALPFXKJFPPTYSN-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 | 322fDHVPNl2 |
|---|---|
| Name | Terephthalic acid, hexyl 3-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/c1-3-4-5-6-14-25-21(23)19-10-12-20(13-11-19)22(24)26-16-18-9-7-8-17(2)15-18/h7-13,15H,3-6,14,16H2,1-2H3 |
| InChIKey | ALPFXKJFPPTYSN-UHFFFAOYSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | C1=CC(=CC=C1C(OCC1=CC(=CC=C1)C)=O)C(OCCCCCC)=O |