| SpectraBase Compound ID | 8iotro9XlK5 |
|---|---|
| InChI | InChI=1S/C19H19ClO4/c1-12(2)11-23-18(21)15-6-4-5-7-16(15)19(22)24-14-8-9-17(20)13(3)10-14/h4-10,12H,11H2,1-3H3 |
| InChIKey | AMRQZVFLHZDSQV-UHFFFAOYSA-N |
| Mol Weight | 346.81 g/mol |
| Molecular Formula | C19H19ClO4 |
| Exact Mass | 346.097187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JROJdjVfJZL |
|---|---|
| Name | Phthalic acid, 4-chloro-3-methylphenyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.097186788 u |
| Formula | C19H19ClO4 |
| InChI | InChI=1S/C19H19ClO4/c1-12(2)11-23-18(21)15-6-4-5-7-16(15)19(22)24-14-8-9-17(20)13(3)10-14/h4-10,12H,11H2,1-3H3 |
| InChIKey | AMRQZVFLHZDSQV-UHFFFAOYSA-N |
| Molecular Weight | 346.810 g/mol |
| SMILES | CC(C)COC(C=1C(C(OC2=CC=C(C(=C2)C)Cl)=O)=CC=CC1)=O |