| SpectraBase Compound ID | 9QJUiYtMBtD |
|---|---|
| InChI | InChI=1S/C22H30O4/c23-21(25-19-9-5-1-2-6-10-19)17-13-15-18(16-14-17)22(24)26-20-11-7-3-4-8-12-20/h13-16,19-20H,1-12H2 |
| InChIKey | OULOADNLXLYZNZ-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 | 6TtoChdu79Y |
|---|---|
| Name | Terephthalic acid, di(cycloheptyl) 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/c23-21(25-19-9-5-1-2-6-10-19)17-13-15-18(16-14-17)22(24)26-20-11-7-3-4-8-12-20/h13-16,19-20H,1-12H2 |
| InChIKey | OULOADNLXLYZNZ-UHFFFAOYSA-N |
| Molecular Weight | 358.478 g/mol |
| SMILES | C1(CCCCCC1)OC(C1=CC=C(C(OC2CCCCCC2)=O)C=C1)=O |