| SpectraBase Compound ID | FU57Y4Me0yf |
|---|---|
| InChI | InChI=1S/C22H30O4/c23-21(25-17-11-5-1-2-6-12-17)19-15-9-10-16-20(19)22(24)26-18-13-7-3-4-8-14-18/h9-10,15-18H,1-8,11-14H2 |
| InChIKey | GULQIIBSEHFYOM-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 | tThdkqmFWB |
|---|---|
| Name | Phthalic 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(25-17-11-5-1-2-6-12-17)19-15-9-10-16-20(19)22(24)26-18-13-7-3-4-8-14-18/h9-10,15-18H,1-8,11-14H2 |
| InChIKey | GULQIIBSEHFYOM-UHFFFAOYSA-N |
| Molecular Weight | 358.478 g/mol |
| SMILES | C1(CCCCCC1)OC(=O)C1=C(C=CC=C1)C(OC1CCCCCC1)=O |