| SpectraBase Compound ID | 63SeVw4NL7Y |
|---|---|
| InChI | InChI=1S/C17H15Cl3O2/c1-2-3-4-11-5-7-12(8-6-11)17(21)22-16-10-14(19)13(18)9-15(16)20/h5-10H,2-4H2,1H3 |
| InChIKey | KBTMBSDYUZPJLZ-UHFFFAOYSA-N |
| Mol Weight | 357.66 g/mol |
| Molecular Formula | C17H15Cl3O2 |
| Exact Mass | 356.013763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FF72ItAgV9Z |
|---|---|
| Name | 4-Butylbenzoic acid, 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.013762821 u |
| Formula | C17H15Cl3O2 |
| InChI | InChI=1S/C17H15Cl3O2/c1-2-3-4-11-5-7-12(8-6-11)17(21)22-16-10-14(19)13(18)9-15(16)20/h5-10H,2-4H2,1H3 |
| InChIKey | KBTMBSDYUZPJLZ-UHFFFAOYSA-N |
| Molecular Weight | 357.664 g/mol |
| SMILES | C1(=CC=C(C=C1)C(=O)OC1=C(C=C(C(=C1)Cl)Cl)Cl)CCCC |