| SpectraBase Compound ID | KoclDh59e2i |
|---|---|
| InChI | InChI=1S/C21H30O4/c1-3-5-7-8-9-11-16-25-21(23)19-14-12-13-18(17-19)20(22)24-15-10-6-4-2/h4,12-14,17H,2-3,5-11,15-16H2,1H3 |
| InChIKey | RMMPZLFGCYWWTK-UHFFFAOYSA-N |
| Mol Weight | 346.47 g/mol |
| Molecular Formula | C21H30O4 |
| Exact Mass | 346.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CFji09ahRzK |
|---|---|
| Name | Isophthalic acid, octyl pent-4-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.214409442 u |
| Formula | C21H30O4 |
| InChI | InChI=1S/C21H30O4/c1-3-5-7-8-9-11-16-25-21(23)19-14-12-13-18(17-19)20(22)24-15-10-6-4-2/h4,12-14,17H,2-3,5-11,15-16H2,1H3 |
| InChIKey | RMMPZLFGCYWWTK-UHFFFAOYSA-N |
| Molecular Weight | 346.467 g/mol |
| SMILES | C1=CC(=CC(=C1)C(=O)OCCCCCCCC)C(OCCCC=C)=O |