![7,7'-(o-Phenylenedioxy)bis[2,2-dimethylheptanoic acid]](/api/spectrum/D91nd2EiXDv/structure.png?h=300&w=458 "7,7'-(o-Phenylenedioxy)bis[2,2-dimethylheptanoic acid]")
| SpectraBase Compound ID | 4iAiOefyjzg |
|---|---|
| InChI | InChI=1S/C24H38O6/c1-23(2,21(25)26)15-9-5-11-17-29-19-13-7-8-14-20(19)30-18-12-6-10-16-24(3,4)22(27)28/h7-8,13-14H,5-6,9-12,15-18H2,1-4H3,(H,25,26)(H,27,28) |
| InChIKey | QEKDUXGCJGGHPO-UHFFFAOYSA-N |
| Mol Weight | 422.6 g/mol |
| Molecular Formula | C24H38O6 |
| Exact Mass | 422.266839 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D91nd2EiXDv |
|---|---|
| Name | 7,7'-(o-Phenylenedioxy)bis[2,2-dimethylheptanoic acid] |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 422.266838938 u |
| Formula | C24H38O6 |
| InChI | InChI=1S/C24H38O6/c1-23(2,21(25)26)15-9-5-11-17-29-19-13-7-8-14-20(19)30-18-12-6-10-16-24(3,4)22(27)28/h7-8,13-14H,5-6,9-12,15-18H2,1-4H3,(H,25,26)(H,27,28) |
| InChIKey | QEKDUXGCJGGHPO-UHFFFAOYSA-N |
| Molecular Weight | 422.562 g/mol |
| SMILES | OC(C(CCCCCOC=1C(OCCCCCC(C(O)=O)(C)C)=CC=CC1)(C)C)=O |