| SpectraBase Compound ID | DXQtbrtzU8s |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-3-5-7-13-21-17(19)15-10-8-14(9-11-15)16(18)20-12-6-4-2/h4,6,8-11H,3,5,7,12-13H2,1-2H3/b6-4+ |
| InChIKey | WOKPHQWITPNKIN-GQCTYLIASA-N |
| Mol Weight | 290.36 g/mol |
| Molecular Formula | C17H22O4 |
| Exact Mass | 290.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LEzx1bsYWfq |
|---|---|
| Name | Terephthalic acid, but-2-enyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.151809184 u |
| Formula | C17H22O4 |
| InChI | InChI=1S/C17H22O4/c1-3-5-7-13-21-17(19)15-10-8-14(9-11-15)16(18)20-12-6-4-2/h4,6,8-11H,3,5,7,12-13H2,1-2H3/b6-4+ |
| InChIKey | WOKPHQWITPNKIN-GQCTYLIASA-N |
| SMILES | C1=CC(=CC=C1C(OCCCCC)=O)C(OC\C=C\C)=O |