| SpectraBase Compound ID | 5sgakH0U7Z8 |
|---|---|
| InChI | InChI=1S/C17H8Cl4O2/c18-12-8-13(19)16(15(21)14(12)20)23-17(22)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H |
| InChIKey | OHNLBGHBSDGQKI-UHFFFAOYSA-N |
| Mol Weight | 386.1 g/mol |
| Molecular Formula | C17H8Cl4O2 |
| Exact Mass | 383.92784 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5CsIKtmnIyn |
|---|---|
| Name | 1-Naphthoic 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 | 383.927840296 u |
| Formula | C17H8Cl4O2 |
| InChI | InChI=1S/C17H8Cl4O2/c18-12-8-13(19)16(15(21)14(12)20)23-17(22)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H |
| InChIKey | OHNLBGHBSDGQKI-UHFFFAOYSA-N |
| Molecular Weight | 386.061 g/mol |
| SMILES | C12=CC=CC=C2C(=CC=C1)C(=O)OC1=C(C(=C(C=C1Cl)Cl)Cl)Cl |