| SpectraBase Compound ID | JNZT8ym0HHR |
|---|---|
| InChI | InChI=1S/C24H38O4/c1-4-7-9-10-11-12-19-27-23(25)20-15-17-21(18-16-20)24(26)28-22(13-6-3)14-8-5-2/h15-18,22H,4-14,19H2,1-3H3 |
| InChIKey | OJPRVYKBJMWKNS-UHFFFAOYSA-N |
| Mol Weight | 390.6 g/mol |
| Molecular Formula | C24H38O4 |
| Exact Mass | 390.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6LXmKgraQQC |
|---|---|
| Name | Terephthalic acid, 4-octyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.277009700 u |
| Formula | C24H38O4 |
| InChI | InChI=1S/C24H38O4/c1-4-7-9-10-11-12-19-27-23(25)20-15-17-21(18-16-20)24(26)28-22(13-6-3)14-8-5-2/h15-18,22H,4-14,19H2,1-3H3 |
| InChIKey | OJPRVYKBJMWKNS-UHFFFAOYSA-N |
| Molecular Weight | 390.564 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OC(CCCC)CCC)=O)C(OCCCCCCCC)=O |