| SpectraBase Compound ID | JPwkZpruJ3u |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-6-7-8-11-14-23-18(21)16-12-9-10-13-17(16)19(22)24-15(2)20(3,4)5/h9-10,12-13,15H,6-8,11,14H2,1-5H3 |
| InChIKey | WOCLUILMEVQFEP-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 | Kpzi8BYJTXn |
|---|---|
| Name | Phthalic acid, 3,3-dimethylbut-2-yl hexyl 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/c1-6-7-8-11-14-23-18(21)16-12-9-10-13-17(16)19(22)24-15(2)20(3,4)5/h9-10,12-13,15H,6-8,11,14H2,1-5H3 |
| InChIKey | WOCLUILMEVQFEP-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C1=CC=CC(=C1C(OC(C(C)(C)C)C)=O)C(OCCCCCC)=O |