| SpectraBase Compound ID | AT0VicJoWLq |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-14(2)13-22-18(20)15-9-11-16(12-10-15)19(21)23-17-7-5-3-4-6-8-17/h9-12,14,17H,3-8,13H2,1-2H3 |
| InChIKey | FOBLAJHDKDHVHW-UHFFFAOYSA-N |
| Mol Weight | 318.41 g/mol |
| Molecular Formula | C19H26O4 |
| Exact Mass | 318.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ILoqmJ98ayV |
|---|---|
| Name | Terephthalic acid, cycloheptyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.183109313 u |
| Formula | C19H26O4 |
| InChI | InChI=1S/C19H26O4/c1-14(2)13-22-18(20)15-9-11-16(12-10-15)19(21)23-17-7-5-3-4-6-8-17/h9-12,14,17H,3-8,13H2,1-2H3 |
| InChIKey | FOBLAJHDKDHVHW-UHFFFAOYSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | C1(CCCCCC1)OC(=O)C1=CC=C(C=C1)C(OCC(C)C)=O |