| SpectraBase Compound ID | GF0GE6wFJkr |
|---|---|
| InChI | InChI=1S/C17H14Cl4O2/c1-2-3-4-10-5-7-11(8-6-10)17(22)23-16-13(19)9-12(18)14(20)15(16)21/h5-9H,2-4H2,1H3 |
| InChIKey | VJFPTLHFDFYZGH-UHFFFAOYSA-N |
| Mol Weight | 392.1 g/mol |
| Molecular Formula | C17H14Cl4O2 |
| Exact Mass | 389.97479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GMtSNTghzfw |
|---|---|
| Name | 4-Butylbenzoic acid, 2,3,4,6-tetrachlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 389.974790489 u |
| Formula | C17H14Cl4O2 |
| InChI | InChI=1S/C17H14Cl4O2/c1-2-3-4-10-5-7-11(8-6-10)17(22)23-16-13(19)9-12(18)14(20)15(16)21/h5-9H,2-4H2,1H3 |
| InChIKey | VJFPTLHFDFYZGH-UHFFFAOYSA-N |
| Molecular Weight | 392.109 g/mol |
| SMILES | C1(=CC=C(C=C1)C(=O)OC1=C(C(=C(C=C1Cl)Cl)Cl)Cl)CCCC |