| SpectraBase Compound ID | FjpZhBHNyTy |
|---|---|
| InChI | InChI=1S/C17H16O4/c1-11-8-9-13(10-12(11)2)21-17(19)15-7-5-4-6-14(15)16(18)20-3/h4-10H,1-3H3 |
| InChIKey | XPGHKVAIOUEOKU-UHFFFAOYSA-N |
| Mol Weight | 284.31 g/mol |
| Molecular Formula | C17H16O4 |
| Exact Mass | 284.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JDBRD7Ag76H |
|---|---|
| Name | Phthalic acid, 3,4-dimethylphenyl methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.104858991 u |
| Formula | C17H16O4 |
| InChI | InChI=1S/C17H16O4/c1-11-8-9-13(10-12(11)2)21-17(19)15-7-5-4-6-14(15)16(18)20-3/h4-10H,1-3H3 |
| InChIKey | XPGHKVAIOUEOKU-UHFFFAOYSA-N |
| SMILES | C1(=C(C=CC=C1)C(OC1=CC=C(C)C(C)=C1)=O)C(OC)=O |