| SpectraBase Compound ID | JrjO0WG2g7y |
|---|---|
| InChI | InChI=1S/C20H22O5/c1-3-4-5-13-24-19(21)15-9-11-16(12-10-15)20(22)25-18-8-6-7-17(14-18)23-2/h6-12,14H,3-5,13H2,1-2H3 |
| InChIKey | GJNQAUDUKXVGRR-UHFFFAOYSA-N |
| Mol Weight | 342.39 g/mol |
| Molecular Formula | C20H22O5 |
| Exact Mass | 342.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H55ys9XNoJk |
|---|---|
| Name | Terephthalic acid, 3-methoxyphenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.146723803 u |
| Formula | C20H22O5 |
| InChI | InChI=1S/C20H22O5/c1-3-4-5-13-24-19(21)15-9-11-16(12-10-15)20(22)25-18-8-6-7-17(14-18)23-2/h6-12,14H,3-5,13H2,1-2H3 |
| InChIKey | GJNQAUDUKXVGRR-UHFFFAOYSA-N |
| Molecular Weight | 342.391 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCCCC)=O)C(OC1=CC(OC)=CC=C1)=O |