| SpectraBase Compound ID | 5a33qyrE32H |
|---|---|
| InChI | InChI=1S/C24H38O4/c1-4-6-7-8-9-10-11-12-13-19-27-23(25)21-15-17-22(18-16-21)24(26)28-20(3)14-5-2/h15-18,20H,4-14,19H2,1-3H3 |
| InChIKey | CQHPOQPEMCHSNZ-UHFFFAOYSA-N |
| Mol Weight | 390.6 g/mol |
| Molecular Formula | C24H38O4 |
| Exact Mass | 390.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ZrOGUqfeEi |
|---|---|
| Name | Terephthalic acid, 2-pentyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.277009700 u |
| Formula | C24H38O4 |
| InChI | InChI=1S/C24H38O4/c1-4-6-7-8-9-10-11-12-13-19-27-23(25)21-15-17-22(18-16-21)24(26)28-20(3)14-5-2/h15-18,20H,4-14,19H2,1-3H3 |
| InChIKey | CQHPOQPEMCHSNZ-UHFFFAOYSA-N |
| Molecular Weight | 390.564 g/mol |
| SMILES | C1=CC(=CC=C1C(OCCCCCCCCCCC)=O)C(OC(CCC)C)=O |