| SpectraBase Compound ID | 4AS3ACZL6MY |
|---|---|
| InChI | InChI=1S/C22H32O4/c1-3-5-6-9-16-25-21(23)18-12-14-19(15-13-18)22(24)26-20-11-8-7-10-17(20)4-2/h12-15,17,20H,3-11,16H2,1-2H3 |
| InChIKey | HLSJKLNVBIGZGG-UHFFFAOYSA-N |
| Mol Weight | 360.5 g/mol |
| Molecular Formula | C22H32O4 |
| Exact Mass | 360.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4lgAMtG5Dmi |
|---|---|
| Name | Terephthalic acid, 2-ethylcyclohexyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.230059506 u |
| Formula | C22H32O4 |
| InChI | InChI=1S/C22H32O4/c1-3-5-6-9-16-25-21(23)18-12-14-19(15-13-18)22(24)26-20-11-8-7-10-17(20)4-2/h12-15,17,20H,3-11,16H2,1-2H3 |
| InChIKey | HLSJKLNVBIGZGG-UHFFFAOYSA-N |
| Molecular Weight | 360.494 g/mol |
| SMILES | C1=CC(=CC=C1C(OCCCCCC)=O)C(OC1CCCCC1CC)=O |