| SpectraBase Compound ID | 6jnasuE1oKE |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-4-6-7-8-9-15(3)23-19(21)17-12-10-16(11-13-17)18(20)22-14-5-2/h10-13,15H,4-9,14H2,1-3H3 |
| InChIKey | ZYEOMCFZGJOIOD-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7goW1J8OJpc |
|---|---|
| Name | Terephthalic acid, 2-octyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-4-6-7-8-9-15(3)23-19(21)17-12-10-16(11-13-17)18(20)22-14-5-2/h10-13,15H,4-9,14H2,1-3H3 |
| InChIKey | ZYEOMCFZGJOIOD-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(OC(=O)C1=CC=C(C=C1)C(=O)OC(C)CCCCCC)CC |