| SpectraBase Compound ID | 3O5bkQclXXl |
|---|---|
| InChI | InChI=1S/C15H20O4/c1-5-18-13(16)11-8-6-7-9-12(11)14(17)19-10-15(2,3)4/h6-9H,5,10H2,1-4H3 |
| InChIKey | WHVDZUFGBMLGCE-UHFFFAOYSA-N |
| Mol Weight | 264.32 g/mol |
| Molecular Formula | C15H20O4 |
| Exact Mass | 264.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HU6efYPhbHG |
|---|---|
| Name | Phthalic acid, ethyl neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.136159120 u |
| Formula | C15H20O4 |
| InChI | InChI=1S/C15H20O4/c1-5-18-13(16)11-8-6-7-9-12(11)14(17)19-10-15(2,3)4/h6-9H,5,10H2,1-4H3 |
| InChIKey | WHVDZUFGBMLGCE-UHFFFAOYSA-N |
| Molecular Weight | 264.321 g/mol |
| SMILES | C(C1=CC=CC=C1C(OCC(C)(C)C)=O)(=O)OCC |