| SpectraBase Compound ID | 6Qxqj8PF0JU |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-3-5-7-8-12-16-24-20(22)18-14-10-9-13-17(18)19(21)23-15-11-6-4-2/h4,9-10,13-14H,2-3,5-8,11-12,15-16H2,1H3 |
| InChIKey | NNRQEDUNKPPZFB-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 | jpRVoQsmmv |
|---|---|
| Name | Phthalic 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/c1-3-5-7-8-12-16-24-20(22)18-14-10-9-13-17(18)19(21)23-15-11-6-4-2/h4,9-10,13-14H,2-3,5-8,11-12,15-16H2,1H3 |
| InChIKey | NNRQEDUNKPPZFB-UHFFFAOYSA-N |
| Molecular Weight | 332.440 g/mol |
| SMILES | C1(=CC=CC=C1C(OCCCCCCC)=O)C(OCCCC=C)=O |