| SpectraBase Compound ID | 1cHWmDAwXl4 |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-4-6-7-8-11-14-23-19(21)17-12-9-10-13-18(17)20(22)24-15-16(3)5-2/h9-10,12-13,16H,4-8,11,14-15H2,1-3H3 |
| InChIKey | XQMHLPJZFZCLAW-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 | 73ldsTsQEbu |
|---|---|
| Name | Phthalic acid, heptyl 2-methylbutyl 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/c1-4-6-7-8-11-14-23-19(21)17-12-9-10-13-18(17)20(22)24-15-16(3)5-2/h9-10,12-13,16H,4-8,11,14-15H2,1-3H3 |
| InChIKey | XQMHLPJZFZCLAW-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(C1=C(C=CC=C1)C(OCC(CC)C)=O)(OCCCCCCC)=O |