| SpectraBase Compound ID | 40iDP4XzrVb |
|---|---|
| InChI | InChI=1S/C20H30O4/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/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3 |
| InChIKey | DOPWUIFVZJEDAV-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L6beWgZ4qTD |
|---|---|
| Name | Phthalic acid, heptyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/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/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3 |
| InChIKey | DOPWUIFVZJEDAV-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C1(=CC=CC=C1C(OCCCCCCC)=O)C(OCCCCC)=O |