| SpectraBase Compound ID | 9kt5sViOl4k |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-3-13-7-5-6-8-16(13)22-18(20)15-11-9-14(10-12-15)17(19)21-4-2/h9-13,16H,3-8H2,1-2H3 |
| InChIKey | QXDSHIGYHLTPBG-UHFFFAOYSA-N |
| Mol Weight | 304.39 g/mol |
| Molecular Formula | C18H24O4 |
| Exact Mass | 304.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1OeKzg7DGsT |
|---|---|
| Name | Terephthalic acid, ethyl 2-ethylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.167459249 u |
| Formula | C18H24O4 |
| InChI | InChI=1S/C18H24O4/c1-3-13-7-5-6-8-16(13)22-18(20)15-11-9-14(10-12-15)17(19)21-4-2/h9-13,16H,3-8H2,1-2H3 |
| InChIKey | QXDSHIGYHLTPBG-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1)C(OCC)=O)C(OC1C(CC)CCCC1)=O |