| SpectraBase Compound ID | CVSuPD6LuDR |
|---|---|
| InChI | InChI=1S/C24H38O4/c1-4-5-6-7-8-9-10-11-12-13-18-27-23(25)21-14-16-22(17-15-21)24(26)28-19-20(2)3/h14-17,20H,4-13,18-19H2,1-3H3 |
| InChIKey | DKQUZKDCUBFHKF-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 | G7QvjEUBBqI |
|---|---|
| Name | Terephthalic acid, dodecyl isobutyl 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/c1-4-5-6-7-8-9-10-11-12-13-18-27-23(25)21-14-16-22(17-15-21)24(26)28-19-20(2)3/h14-17,20H,4-13,18-19H2,1-3H3 |
| InChIKey | DKQUZKDCUBFHKF-UHFFFAOYSA-N |
| Molecular Weight | 390.564 g/mol |
| SMILES | C(CCCCCCCOC(C1=CC=C(C=C1)C(OCC(C)C)=O)=O)CCCC |