| SpectraBase Compound ID | 4CUWkJhvWlq |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-2-3-8-15-23-19(21)16-11-13-17(14-12-16)20(22)24-18-9-6-4-5-7-10-18/h11-14,18H,2-10,15H2,1H3 |
| InChIKey | PXKRPVJLBQODDK-UHFFFAOYSA-N |
| Mol Weight | 332.44 g/mol |
| Molecular Formula | C20H28O4 |
| Exact Mass | 332.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DVVOXS8C1n7 |
|---|---|
| Name | Terephthalic acid, cycloheptyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.198759378 u |
| Formula | C20H28O4 |
| InChI | InChI=1S/C20H28O4/c1-2-3-8-15-23-19(21)16-11-13-17(14-12-16)20(22)24-18-9-6-4-5-7-10-18/h11-14,18H,2-10,15H2,1H3 |
| InChIKey | PXKRPVJLBQODDK-UHFFFAOYSA-N |
| Molecular Weight | 332.440 g/mol |
| SMILES | C1(CCCCCC1)OC(=O)C1=CC=C(C=C1)C(OCCCCC)=O |