![4-[(p-Chlorophenyl)thio]-3-nitrobenzoic acid](/api/spectrum/CUZyuc7HhaD/structure.png?h=300&w=458 "4-[(p-Chlorophenyl)thio]-3-nitrobenzoic acid")
| SpectraBase Compound ID | AVnJsd4Gktv |
|---|---|
| InChI | InChI=1S/C13H8ClNO4S/c14-9-2-4-10(5-3-9)20-12-6-1-8(13(16)17)7-11(12)15(18)19/h1-7H,(H,16,17) |
| InChIKey | YXJBPPSCOPYQHY-UHFFFAOYSA-N |
| Mol Weight | 309.72 g/mol |
| Molecular Formula | C13H8ClNO4S |
| Exact Mass | 308.986257 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CUZyuc7HhaD |
|---|---|
| Name | 4-[(p-Chlorophenyl)thio]-3-nitrobenzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.986256612 u |
| Formula | C13H8ClNO4S |
| InChI | InChI=1S/C13H8ClNO4S/c14-9-2-4-10(5-3-9)20-12-6-1-8(13(16)17)7-11(12)15(18)19/h1-7H,(H,16,17) |
| InChIKey | YXJBPPSCOPYQHY-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C=1C=C(C(O)=O)C=CC1SC=1C=CC(=CC1)Cl |