| SpectraBase Compound ID | 9F2GcQHQPuq |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-5-9-16(10-6-2)14-24-20(22)18-12-8-7-11-17(18)19(21)23-13-15(3)4/h7-8,11-12,15-16H,5-6,9-10,13-14H2,1-4H3 |
| InChIKey | BVBMHFXWLLRVEG-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 | DYPS4m1czT6 |
|---|---|
| Name | Phthalic acid, isobutyl 2-propylpentyl 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/c1-5-9-16(10-6-2)14-24-20(22)18-12-8-7-11-17(18)19(21)23-13-15(3)4/h7-8,11-12,15-16H,5-6,9-10,13-14H2,1-4H3 |
| InChIKey | BVBMHFXWLLRVEG-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(C1=CC=CC=C1C(OCC(CCC)CCC)=O)(OCC(C)C)=O |