| SpectraBase Compound ID | IxbW2gtL0b9 |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-4-7-8-9-10-17-25-21(23)18-13-15-19(16-14-18)22(24)26-20(11-5-2)12-6-3/h13-16,20H,4-12,17H2,1-3H3 |
| InChIKey | DEOQVLXTKGIIOS-UHFFFAOYSA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C22H34O4 |
| Exact Mass | 362.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 20XX9bbl8OP |
|---|---|
| Name | Terephthalic acid, heptyl 4-heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.245709571 u |
| Formula | C22H34O4 |
| InChI | InChI=1S/C22H34O4/c1-4-7-8-9-10-17-25-21(23)18-13-15-19(16-14-18)22(24)26-20(11-5-2)12-6-3/h13-16,20H,4-12,17H2,1-3H3 |
| InChIKey | DEOQVLXTKGIIOS-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OC(CCC)CCC)=O)C(OCCCCCCC)=O |