![4-[(p-Chlorophenyl)thio]-6,7-dimethyoxycinnoline](/api/spectrum/7UwLnen0YBX/structure.png?h=300&w=458 "4-[(p-Chlorophenyl)thio]-6,7-dimethyoxycinnoline")
| SpectraBase Compound ID | 1ZdZj7agdoq |
|---|---|
| InChI | InChI=1S/C16H13ClN2O2S/c1-20-14-7-12-13(8-15(14)21-2)19-18-9-16(12)22-11-5-3-10(17)4-6-11/h3-9H,1-2H3 |
| InChIKey | VRXCDHFRZSQQKD-UHFFFAOYSA-N |
| Mol Weight | 332.81 g/mol |
| Molecular Formula | C16H13ClN2O2S |
| Exact Mass | 332.038627 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7UwLnen0YBX |
|---|---|
| Name | 4-[(p-Chlorophenyl)thio]-6,7-dimethyoxycinnoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.038626539 u |
| Formula | C16H13ClN2O2S |
| InChI | InChI=1S/C16H13ClN2O2S/c1-20-14-7-12-13(8-15(14)21-2)19-18-9-16(12)22-11-5-3-10(17)4-6-11/h3-9H,1-2H3 |
| InChIKey | VRXCDHFRZSQQKD-UHFFFAOYSA-N |
| Molecular Weight | 332.805 g/mol |
| SMILES | C1=C(C(=CC2=C1N=NC=C2SC=1C=CC(Cl)=CC1)OC)OC |