| SpectraBase Compound ID | 9orNxxlPmYA |
|---|---|
| InChI | InChI=1S/C19H19ClO4/c1-12(2)11-23-18(21)15-6-4-5-7-16(15)19(22)24-17-9-8-14(20)10-13(17)3/h4-10,12H,11H2,1-3H3 |
| InChIKey | JYFPSFDCITWACT-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 | L4yxPl0nb1i |
|---|---|
| Name | Phthalic acid, 4-chloro-2-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)24-17-9-8-14(20)10-13(17)3/h4-10,12H,11H2,1-3H3 |
| InChIKey | JYFPSFDCITWACT-UHFFFAOYSA-N |
| Molecular Weight | 346.810 g/mol |
| SMILES | C1(=CC=CC=C1C(OC=1C(C)=CC(=CC1)Cl)=O)C(OCC(C)C)=O |