| SpectraBase Compound ID | 9D0vxKn8lnQ |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-20(2,3)14-24-19(22)17-12-8-7-11-16(17)18(21)23-13-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3 |
| InChIKey | XTRIJUHGDJZSTI-UHFFFAOYSA-N |
| Mol Weight | 326.39 g/mol |
| Molecular Formula | C20H22O4 |
| Exact Mass | 326.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HKP3yzagW84 |
|---|---|
| Name | Phthalic acid, benzyl neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.151809184 u |
| Formula | C20H22O4 |
| InChI | InChI=1S/C20H22O4/c1-20(2,3)14-24-19(22)17-12-8-7-11-16(17)18(21)23-13-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3 |
| InChIKey | XTRIJUHGDJZSTI-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C1=C(C(=CC=C1)C(=O)OCC(C)(C)C)C(=O)OCC1=CC=CC=C1 |