| SpectraBase Compound ID | D2d1H3fS8ie |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-4-7-14(5-2)20-16(18)13-10-8-12(9-11-13)15(17)19-6-3/h8-11,14H,4-7H2,1-3H3 |
| InChIKey | FCVLKRWTOLXESJ-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C16H22O4 |
| Exact Mass | 278.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GwMBpIsjN0l |
|---|---|
| Name | Terephthalic acid, ethyl 3-hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.151809184 u |
| Formula | C16H22O4 |
| InChI | InChI=1S/C16H22O4/c1-4-7-14(5-2)20-16(18)13-10-8-12(9-11-13)15(17)19-6-3/h8-11,14H,4-7H2,1-3H3 |
| InChIKey | FCVLKRWTOLXESJ-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C1=CC(=CC=C1C(OCC)=O)C(OC(CCC)CC)=O |