| SpectraBase Compound ID | FY6Pz9878J |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-3-5-7-8-10-15-24-20(22)18-13-11-12-17(16-18)19(21)23-14-9-6-4-2/h4,11-13,16H,2-3,5-10,14-15H2,1H3 |
| InChIKey | HZEGGFKQKXDBGD-UHFFFAOYSA-N |
| Mol Weight | 332.44 g/mol |
| Molecular Formula | C20H28O4 |
| Exact Mass | 332.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FDiRiIwTNQp |
|---|---|
| Name | Isophthalic acid, heptyl pent-4-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.198759378 u |
| Formula | C20H28O4 |
| InChI | InChI=1S/C20H28O4/c1-3-5-7-8-10-15-24-20(22)18-13-11-12-17(16-18)19(21)23-14-9-6-4-2/h4,11-13,16H,2-3,5-10,14-15H2,1H3 |
| InChIKey | HZEGGFKQKXDBGD-UHFFFAOYSA-N |
| Molecular Weight | 332.440 g/mol |
| SMILES | C1=CC(=CC(=C1)C(=O)OCCCCCCC)C(OCCCC=C)=O |