| SpectraBase Compound ID | 5YfGJLSaMGo |
|---|---|
| InChI | InChI=1S/C22H30O4/c1-15(17-7-3-4-8-17)25-21(23)19-11-13-20(14-12-19)22(24)26-16(2)18-9-5-6-10-18/h11-18H,3-10H2,1-2H3 |
| InChIKey | BQYLZZDEBOSGNE-UHFFFAOYSA-N |
| Mol Weight | 358.48 g/mol |
| Molecular Formula | C22H30O4 |
| Exact Mass | 358.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CsYhMEi1nQU |
|---|---|
| Name | Terephthalic acid, di(1-cyclopentylethyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.214409442 u |
| Formula | C22H30O4 |
| InChI | InChI=1S/C22H30O4/c1-15(17-7-3-4-8-17)25-21(23)19-11-13-20(14-12-19)22(24)26-16(2)18-9-5-6-10-18/h11-18H,3-10H2,1-2H3 |
| InChIKey | BQYLZZDEBOSGNE-UHFFFAOYSA-N |
| Molecular Weight | 358.478 g/mol |
| SMILES | C1=CC(=CC=C1C(OC(C)C1CCCC1)=O)C(OC(C)C1CCCC1)=O |