| SpectraBase Compound ID | 76Ct2IJXCRG |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-3-5-7-8-9-10-12-18-26-22(24)20-15-13-19(14-16-20)21(23)25-17-11-6-4-2/h13-16H,3-12,17-18H2,1-2H3 |
| InChIKey | DNEWEZAZCBACLU-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 | 8JVqnz48AAc |
|---|---|
| Name | Terephthalic acid, nonyl pentyl 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/c1-3-5-7-8-9-10-12-18-26-22(24)20-15-13-19(14-16-20)21(23)25-17-11-6-4-2/h13-16H,3-12,17-18H2,1-2H3 |
| InChIKey | DNEWEZAZCBACLU-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | CCCCCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OCCCCC |