| SpectraBase Compound ID | 8XOeAH3J35e |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-14(2)7-6-8-16(5)24-20(22)18-11-9-17(10-12-18)19(21)23-13-15(3)4/h9-12,14-16H,6-8,13H2,1-5H3 |
| InChIKey | JZAYJKJCMXCGBX-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EMfNB5ClXjB |
|---|---|
| Name | Terephthalic acid, isobutyl 6-methylhept-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-14(2)7-6-8-16(5)24-20(22)18-11-9-17(10-12-18)19(21)23-13-15(3)4/h9-12,14-16H,6-8,13H2,1-5H3 |
| InChIKey | JZAYJKJCMXCGBX-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCC(C)C)=O)C(=O)OC(C)CCCC(C)C |