| SpectraBase Compound ID | FZKO6pZiVgQ |
|---|---|
| InChI | InChI=1S/C17H9Cl3O2/c18-13-8-15(20)16(9-14(13)19)22-17(21)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H |
| InChIKey | ARGSNZNGENVAPU-UHFFFAOYSA-N |
| Mol Weight | 351.62 g/mol |
| Molecular Formula | C17H9Cl3O2 |
| Exact Mass | 349.966813 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ID5JA4BqIvg |
|---|---|
| Name | 1-Naphthoic acid, 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.966812628 u |
| Formula | C17H9Cl3O2 |
| InChI | InChI=1S/C17H9Cl3O2/c18-13-8-15(20)16(9-14(13)19)22-17(21)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H |
| InChIKey | ARGSNZNGENVAPU-UHFFFAOYSA-N |
| Molecular Weight | 351.616 g/mol |
| SMILES | C12=CC=CC=C2C(=CC=C1)C(=O)OC1=C(C=C(C(=C1)Cl)Cl)Cl |