| SpectraBase Compound ID | 91Txhv8HDem |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-5-6-7-10-13-23-19(21)17-11-8-9-12-18(17)20(22)24-16(4)14-15(2)3/h8-9,11-12,15-16H,5-7,10,13-14H2,1-4H3 |
| InChIKey | ZBAIRADOKZMYQC-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 | 8vHu6uY64Wl |
|---|---|
| Name | Phthalic acid, hexyl 4-methylpent-2-yl 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/c1-5-6-7-10-13-23-19(21)17-11-8-9-12-18(17)20(22)24-16(4)14-15(2)3/h8-9,11-12,15-16H,5-7,10,13-14H2,1-4H3 |
| InChIKey | ZBAIRADOKZMYQC-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C1=CC=CC(=C1C(OCCCCCC)=O)C(OC(C)CC(C)C)=O |