| SpectraBase Compound ID | Jq9PEMTkWPx |
|---|---|
| InChI | InChI=1S/C20H21ClO5/c1-2-3-12-25-19(22)15-8-4-5-9-16(15)20(23)26-14-13-24-18-11-7-6-10-17(18)21/h4-11H,2-3,12-14H2,1H3 |
| InChIKey | RYLKTLAWYMWOQE-UHFFFAOYSA-N |
| Mol Weight | 376.84 g/mol |
| Molecular Formula | C20H21ClO5 |
| Exact Mass | 376.107751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LxHajVKMss5 |
|---|---|
| Name | Phthalic acid, butyl 2-(4-chlorophenoxy)ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.107751471 u |
| Formula | C20H21ClO5 |
| InChI | InChI=1S/C20H21ClO5/c1-2-3-12-25-19(22)15-8-4-5-9-16(15)20(23)26-14-13-24-18-11-7-6-10-17(18)21/h4-11H,2-3,12-14H2,1H3 |
| InChIKey | RYLKTLAWYMWOQE-UHFFFAOYSA-N |
| Molecular Weight | 376.836 g/mol |
| SMILES | C(C1=CC=CC=C1C(OCCOC1=CC=CC=C1Cl)=O)(OCCCC)=O |