| SpectraBase Compound ID | AjKQdCAUOKe |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-11(2)13(5)21-17(19)15-7-9-16(10-8-15)18(20)22-14(6)12(3)4/h7-14H,1-6H3 |
| InChIKey | IJLDTTKUGDCXNJ-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FzeEVg3jLbr |
|---|---|
| Name | Terephthalic acid, di(3-methylbut-2-yl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-11(2)13(5)21-17(19)15-7-9-16(10-8-15)18(20)22-14(6)12(3)4/h7-14H,1-6H3 |
| InChIKey | IJLDTTKUGDCXNJ-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OC(C(C)C)C)=O)C(OC(C)C(C)C)=O |