| SpectraBase Compound ID | KmhiUcmpAyd |
|---|---|
| InChI | InChI=1S/C13H9ClN2O3S/c14-10-5-4-9(7-11(10)16(18)19)12(17)8-20-13-3-1-2-6-15-13/h1-7H,8H2 |
| InChIKey | UKFALEOULYJUJQ-UHFFFAOYSA-N |
| Mol Weight | 308.74 g/mol |
| Molecular Formula | C13H9ClN2O3S |
| Exact Mass | 308.002241 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ce56zMsIo91 |
|---|---|
| Name | Ethanone, 1-(4-chloro-3-nitrophenyl)-2-(2-pyridylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.002241029 u |
| Formula | C13H9ClN2O3S |
| InChI | InChI=1S/C13H9ClN2O3S/c14-10-5-4-9(7-11(10)16(18)19)12(17)8-20-13-3-1-2-6-15-13/h1-7H,8H2 |
| InChIKey | UKFALEOULYJUJQ-UHFFFAOYSA-N |
| Molecular Weight | 308.739 g/mol |
| SMILES | C1=CC=NC(=C1)SCC(C=1C=C(N(=O)=O)C(=CC1)Cl)=O |