| SpectraBase Compound ID | 7A60EQ4t9me |
|---|---|
| InChI | InChI=1S/C19H20O4/c1-13(2)12-22-18(20)16-9-4-5-10-17(16)19(21)23-15-8-6-7-14(3)11-15/h4-11,13H,12H2,1-3H3 |
| InChIKey | ZHSOPMBJJHLLKR-UHFFFAOYSA-N |
| Mol Weight | 312.37 g/mol |
| Molecular Formula | C19H20O4 |
| Exact Mass | 312.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 20uU792nMsO |
|---|---|
| Name | Phthalic acid, isobutyl 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.136159120 u |
| Formula | C19H20O4 |
| InChI | InChI=1S/C19H20O4/c1-13(2)12-22-18(20)16-9-4-5-10-17(16)19(21)23-15-8-6-7-14(3)11-15/h4-11,13H,12H2,1-3H3 |
| InChIKey | ZHSOPMBJJHLLKR-UHFFFAOYSA-N |
| Molecular Weight | 312.365 g/mol |
| SMILES | CC(C)COC(C1=C(C(=O)OC=2C=CC=C(C)C2)C=CC=C1)=O |