| SpectraBase Compound ID | 58YfAFcnQKp |
|---|---|
| InChI | InChI=1S/C18H16Cl2O4/c1-12(21)13-4-7-15(8-5-13)24-18(22)3-2-10-23-17-9-6-14(19)11-16(17)20/h4-9,11H,2-3,10H2,1H3 |
| InChIKey | HOZRIDROFYDSNM-UHFFFAOYSA-N |
| Mol Weight | 367.23 g/mol |
| Molecular Formula | C18H16Cl2O4 |
| Exact Mass | 366.042564 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | dDykcOnAr7 |
|---|---|
| Name | 4-Acetylphenyl 4-(2,4-dichlorophenoxy)butanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.042564391 u |
| Formula | C18H16Cl2O4 |
| InChI | InChI=1S/C18H16Cl2O4/c1-12(21)13-4-7-15(8-5-13)24-18(22)3-2-10-23-17-9-6-14(19)11-16(17)20/h4-9,11H,2-3,10H2,1H3 |
| InChIKey | HOZRIDROFYDSNM-UHFFFAOYSA-N |
| Molecular Weight | 367.228 g/mol |
| SMILES | C=1(C=C(Cl)C=CC1OCCCC(OC1=CC=C(C(=O)C)C=C1)=O)Cl |