| SpectraBase Compound ID | DIck8h1kofp |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-3-5-7-12-21-17(19)15-10-8-9-14(13-15)16(18)20-11-6-4-2/h3,8-10,13H,1,4-7,11-12H2,2H3 |
| InChIKey | LEFJXIIURQPKLJ-UHFFFAOYSA-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 | DeC0crWsCfB |
|---|---|
| Name | Isophthalic acid, pent-4-enyl butyl 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/c1-3-5-7-12-21-17(19)15-10-8-9-14(13-15)16(18)20-11-6-4-2/h3,8-10,13H,1,4-7,11-12H2,2H3 |
| InChIKey | LEFJXIIURQPKLJ-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC(=C1)C(=O)OCCCC)C(OCCCC=C)=O |