| SpectraBase Compound ID | K6yW8os0qDp |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-2-20-16(18)13-9-11-14(12-10-13)17(19)21-15-7-5-3-4-6-8-15/h9-12,15H,2-8H2,1H3 |
| InChIKey | ACZYFQMFSYMSME-UHFFFAOYSA-N |
| Mol Weight | 290.36 g/mol |
| Molecular Formula | C17H22O4 |
| Exact Mass | 290.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ZTRSqNv6OM |
|---|---|
| Name | Terephthalic acid, cycloheptyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.151809184 u |
| Formula | C17H22O4 |
| InChI | InChI=1S/C17H22O4/c1-2-20-16(18)13-9-11-14(12-10-13)17(19)21-15-7-5-3-4-6-8-15/h9-12,15H,2-8H2,1H3 |
| InChIKey | ACZYFQMFSYMSME-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C1=CC=C(C(OC2CCCCCC2)=O)C=C1 |