| SpectraBase Compound ID | 7AnWn87MMT0 |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-4-7-9-10-17-25-21(23)18-13-15-19(16-14-18)22(24)26-20(11-6-3)12-8-5-2/h13-16,20H,4-12,17H2,1-3H3 |
| InChIKey | VCGOBHGJGPTSOU-UHFFFAOYSA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C22H34O4 |
| Exact Mass | 362.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CRs0hKdD2Ol |
|---|---|
| Name | Terephthalic acid, hexyl 4-octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.245709571 u |
| Formula | C22H34O4 |
| InChI | InChI=1S/C22H34O4/c1-4-7-9-10-17-25-21(23)18-13-15-19(16-14-18)22(24)26-20(11-6-3)12-8-5-2/h13-16,20H,4-12,17H2,1-3H3 |
| InChIKey | VCGOBHGJGPTSOU-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | CCCCCCOC(C1=CC=C(C(OC(CCCC)CCC)=O)C=C1)=O |