| SpectraBase Compound ID | EJpeNZzdXfa |
|---|---|
| InChI | InChI=1S/C20H19ClO4/c21-17-12-6-7-13-18(17)25-20(23)16-11-5-4-10-15(16)19(22)24-14-8-2-1-3-9-14/h4-7,10-14H,1-3,8-9H2 |
| InChIKey | MLLMVXYKHZAHRW-UHFFFAOYSA-N |
| Mol Weight | 358.82 g/mol |
| Molecular Formula | C20H19ClO4 |
| Exact Mass | 358.097187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1AhFzaG4AVR |
|---|---|
| Name | Phthalic acid, 2-chlorophenyl cyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.097186788 u |
| Formula | C20H19ClO4 |
| InChI | InChI=1S/C20H19ClO4/c21-17-12-6-7-13-18(17)25-20(23)16-11-5-4-10-15(16)19(22)24-14-8-2-1-3-9-14/h4-7,10-14H,1-3,8-9H2 |
| InChIKey | MLLMVXYKHZAHRW-UHFFFAOYSA-N |
| Molecular Weight | 358.821 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC1CCCCC1)=O)C(OC1=CC=CC=C1Cl)=O |