| SpectraBase Compound ID | Azi0P11rtF2 |
|---|---|
| InChI | InChI=1S/C17H16N2O2S/c1-11-4-6-12(7-5-11)22-17-10-18-19-14-9-16(21-3)15(20-2)8-13(14)17/h4-10H,1-3H3 |
| InChIKey | HVYMKKCAYTVTPP-UHFFFAOYSA-N |
| Mol Weight | 312.39 g/mol |
| Molecular Formula | C17H16N2O2S |
| Exact Mass | 312.093249 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GGM7VLv5tsk |
|---|---|
| Name | 6,7-Dimethoxy-4-(p-tolylthio)cinnoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.093248935 u |
| Formula | C17H16N2O2S |
| InChI | InChI=1S/C17H16N2O2S/c1-11-4-6-12(7-5-11)22-17-10-18-19-14-9-16(21-3)15(20-2)8-13(14)17/h4-10H,1-3H3 |
| InChIKey | HVYMKKCAYTVTPP-UHFFFAOYSA-N |
| Molecular Weight | 312.387 g/mol |
| SMILES | C1=C(C(=CC2=C1N=NC=C2SC=1C=CC(C)=CC1)OC)OC |