| SpectraBase Compound ID | BAFVjgXdGWY |
|---|---|
| InChI | InChI=1S/C21H30O4/c1-3-5-7-8-9-13-17-25-21(23)19-15-11-10-14-18(19)20(22)24-16-12-6-4-2/h4,10-11,14-15H,2-3,5-9,12-13,16-17H2,1H3 |
| InChIKey | IZGXXPISSXNTOK-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 | L4Ce7nX9Sxo |
|---|---|
| Name | Phthalic 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/c1-3-5-7-8-9-13-17-25-21(23)19-15-11-10-14-18(19)20(22)24-16-12-6-4-2/h4,10-11,14-15H,2-3,5-9,12-13,16-17H2,1H3 |
| InChIKey | IZGXXPISSXNTOK-UHFFFAOYSA-N |
| Molecular Weight | 346.467 g/mol |
| SMILES | C1(=CC=CC=C1C(OCCCCCCCC)=O)C(OCCCC=C)=O |