| SpectraBase Compound ID | IXMD9OV8VuZ |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-4-5-6-11-20-16(18)14-7-9-15(10-8-14)17(19)21-12-13(2)3/h7-10,13H,4-6,11-12H2,1-3H3 |
| InChIKey | QCSAHCGQUUVWRF-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 | FnCQarG9nTh |
|---|---|
| Name | Terephthalic acid, isobutyl pentyl 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/c1-4-5-6-11-20-16(18)14-7-9-15(10-8-14)17(19)21-12-13(2)3/h7-10,13H,4-6,11-12H2,1-3H3 |
| InChIKey | QCSAHCGQUUVWRF-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)C(OCC(C)C)=O)C(OCCCCC)=O |