| SpectraBase Compound ID | AYSOD81R73F |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-3-5-6-7-13-21-17(19)15-10-8-14(9-11-15)16(18)20-12-4-2/h8-11H,3-7,12-13H2,1-2H3 |
| InChIKey | PEZGVENWOFOHHA-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 | Kc573Mv61yn |
|---|---|
| Name | Terephthalic acid, hexyl propyl 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/c1-3-5-6-7-13-21-17(19)15-10-8-14(9-11-15)16(18)20-12-4-2/h8-11H,3-7,12-13H2,1-2H3 |
| InChIKey | PEZGVENWOFOHHA-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)C(OCCC)=O)C(OCCCCCC)=O |