| SpectraBase Compound ID | 3uQEdoodDUv |
|---|---|
| InChI | InChI=1S/C26H42O4/c1-4-7-8-9-10-11-12-13-14-15-21-29-25(27)22-17-19-23(20-18-22)26(28)30-24(6-3)16-5-2/h17-20,24H,4-16,21H2,1-3H3 |
| InChIKey | ABHIRNNHRBQTEE-UHFFFAOYSA-N |
| Mol Weight | 418.6 g/mol |
| Molecular Formula | C26H42O4 |
| Exact Mass | 418.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Oq2VdYjRFP |
|---|---|
| Name | Terephthalic acid, dodecyl 3-hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 418.308309828 u |
| Formula | C26H42O4 |
| InChI | InChI=1S/C26H42O4/c1-4-7-8-9-10-11-12-13-14-15-21-29-25(27)22-17-19-23(20-18-22)26(28)30-24(6-3)16-5-2/h17-20,24H,4-16,21H2,1-3H3 |
| InChIKey | ABHIRNNHRBQTEE-UHFFFAOYSA-N |
| Molecular Weight | 418.618 g/mol |
| SMILES | C1=CC(=CC=C1C(OCCCCCCCCCCCC)=O)C(OC(CCC)CC)=O |