| SpectraBase Compound ID | A3QX9BrVQSO |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-6-21-16(19)14-7-9-15(10-8-14)17(20)22-12-13(2)11-18(3,4)5/h7-10,13H,6,11-12H2,1-5H3 |
| InChIKey | IPPOQGBRLFZALP-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 | IGgCQWjBDsi |
|---|---|
| Name | Terephthalic acid, ethyl 2,4,4-trimethylpentyl 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/c1-6-21-16(19)14-7-9-15(10-8-14)17(20)22-12-13(2)11-18(3,4)5/h7-10,13H,6,11-12H2,1-5H3 |
| InChIKey | IPPOQGBRLFZALP-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCC)=O)C(=O)OCC(CC(C)(C)C)C |