| SpectraBase Compound ID | 1jRoUDjTK9U |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-14(2)12-23-18(21)16-9-7-8-10-17(16)19(22)24-13-15(3)11-20(4,5)6/h7-10,14-15H,11-13H2,1-6H3 |
| InChIKey | XRCKQJJXYYVNKZ-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 | 7zmEBtyXpMV |
|---|---|
| Name | Phthalic acid, isobutyl 2,4,4-trimethylpentyl 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/c1-14(2)12-23-18(21)16-9-7-8-10-17(16)19(22)24-13-15(3)11-20(4,5)6/h7-10,14-15H,11-13H2,1-6H3 |
| InChIKey | XRCKQJJXYYVNKZ-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(C1=CC=CC=C1C(OCC(C)CC(C)(C)C)=O)(OCC(C)C)=O |