| SpectraBase Compound ID | E0cc1qDZ1qg |
|---|---|
| InChI | InChI=1S/C24H38O4/c1-5-6-7-8-9-10-13-20(4)28-24(26)22-16-14-21(15-17-22)23(25)27-18-11-12-19(2)3/h14-17,19-20H,5-13,18H2,1-4H3 |
| InChIKey | RBCKUCGANMXGLK-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 | EPRnxywzdzq |
|---|---|
| Name | Terephthalic acid, 2-decyl isohexyl 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/c1-5-6-7-8-9-10-13-20(4)28-24(26)22-16-14-21(15-17-22)23(25)27-18-11-12-19(2)3/h14-17,19-20H,5-13,18H2,1-4H3 |
| InChIKey | RBCKUCGANMXGLK-UHFFFAOYSA-N |
| Molecular Weight | 390.564 g/mol |
| SMILES | C1=CC(=CC=C1C(OCCCC(C)C)=O)C(OC(CCCCCCCC)C)=O |