| SpectraBase Compound ID | HFLwepXSA4j |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-6-14(17(3,4)5)21-16(19)13-10-8-12(9-11-13)15(18)20-7-2/h8-11,14H,6-7H2,1-5H3 |
| InChIKey | ONMOCKIZPWRAMC-UHFFFAOYSA-N |
| Mol Weight | 292.38 g/mol |
| Molecular Formula | C17H24O4 |
| Exact Mass | 292.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5WRnplTTRGS |
|---|---|
| Name | Terephthalic acid, 4,4-dimethylpent-2-yl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.167459249 u |
| Formula | C17H24O4 |
| InChI | InChI=1S/C17H24O4/c1-6-14(17(3,4)5)21-16(19)13-10-8-12(9-11-13)15(18)20-7-2/h8-11,14H,6-7H2,1-5H3 |
| InChIKey | ONMOCKIZPWRAMC-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)C(OCC)=O)C(=O)OC(C(C)(C)C)CC |