| SpectraBase Compound ID | 2bYnlu2Spc8 |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-14-8-7-9-15(12-14)24-19(22)17-11-6-5-10-16(17)18(21)23-13-20(2,3)4/h5-12H,13H2,1-4H3 |
| InChIKey | SWUKLGVFRSYKNG-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 | F1ZLgfUxpPt |
|---|---|
| Name | Phthalic acid, 3-methylphenyl 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/c1-14-8-7-9-15(12-14)24-19(22)17-11-6-5-10-16(17)18(21)23-13-20(2,3)4/h5-12H,13H2,1-4H3 |
| InChIKey | SWUKLGVFRSYKNG-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C1=C(C(=CC=C1)C(OC1=CC(C)=CC=C1)=O)C(OCC(C)(C)C)=O |