| SpectraBase Compound ID | Kizg7L4qVfO |
|---|---|
| InChI | InChI=1S/C18H22O4/c1-3-5-7-12-21-17(19)15-10-9-11-16(14-15)18(20)22-13-8-6-4-2/h3-4,9-11,14H,1-2,5-8,12-13H2 |
| InChIKey | NYNZBEXGNHUGPM-UHFFFAOYSA-N |
| Mol Weight | 302.37 g/mol |
| Molecular Formula | C18H22O4 |
| Exact Mass | 302.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FqVa2pErVEt |
|---|---|
| Name | Isophthalic acid, di(pent-4-enyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.151809184 u |
| Formula | C18H22O4 |
| InChI | InChI=1S/C18H22O4/c1-3-5-7-12-21-17(19)15-10-9-11-16(14-15)18(20)22-13-8-6-4-2/h3-4,9-11,14H,1-2,5-8,12-13H2 |
| InChIKey | NYNZBEXGNHUGPM-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC(=C1)C(=O)OCCCC=C)C(OCCCC=C)=O |