| SpectraBase Compound ID | LXhWJ99Rc3n |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-3-4-5-6-7-8-13-21-17(19)15-11-9-14(10-12-15)16(18)20-2/h9-12H,3-8,13H2,1-2H3 |
| InChIKey | AINDOZXYAKFKFE-UHFFFAOYSA-N |
| Mol Weight | 292.38 g/mol |
| Molecular Formula | C17H24O4 |
| Exact Mass | 292.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E1ti5S2IqCa |
|---|---|
| Name | Terephthalic acid, methyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.167459249 u |
| Formula | C17H24O4 |
| InChI | InChI=1S/C17H24O4/c1-3-4-5-6-7-8-13-21-17(19)15-11-9-14(10-12-15)16(18)20-2/h9-12H,3-8,13H2,1-2H3 |
| InChIKey | AINDOZXYAKFKFE-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC=C1C(OC)=O)C(OCCCCCCCC)=O |