| SpectraBase Compound ID | 3xt49opqdTm |
|---|---|
| InChI | InChI=1S/C21H30O4/c1-3-5-8-15-24-20(22)17-11-13-18(14-12-17)21(23)25-19-10-7-6-9-16(19)4-2/h11-14,16,19H,3-10,15H2,1-2H3 |
| InChIKey | VINRYRGQYHWOBI-UHFFFAOYSA-N |
| Mol Weight | 346.47 g/mol |
| Molecular Formula | C21H30O4 |
| Exact Mass | 346.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JUXKj7EXaUA |
|---|---|
| Name | Terephthalic acid, 2-ethylcyclohexyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.214409442 u |
| Formula | C21H30O4 |
| InChI | InChI=1S/C21H30O4/c1-3-5-8-15-24-20(22)17-11-13-18(14-12-17)21(23)25-19-10-7-6-9-16(19)4-2/h11-14,16,19H,3-10,15H2,1-2H3 |
| InChIKey | VINRYRGQYHWOBI-UHFFFAOYSA-N |
| Molecular Weight | 346.467 g/mol |
| SMILES | C1=CC(=CC=C1C(OCCCCC)=O)C(OC1CCCCC1CC)=O |