| SpectraBase Compound ID | DQCmJt6DEhQ |
|---|---|
| InChI | InChI=1S/C16H14N2O2S/c1-19-14-8-12-13(9-15(14)20-2)18-17-10-16(12)21-11-6-4-3-5-7-11/h3-10H,1-2H3 |
| InChIKey | YVMNHBJDZTVOQQ-UHFFFAOYSA-N |
| Mol Weight | 298.36 g/mol |
| Molecular Formula | C16H14N2O2S |
| Exact Mass | 298.077599 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HvpQsSmOlif |
|---|---|
| Name | 6,7-Dimethoxy-4-(phenylthio)cinnoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.077598871 u |
| Formula | C16H14N2O2S |
| InChI | InChI=1S/C16H14N2O2S/c1-19-14-8-12-13(9-15(14)20-2)18-17-10-16(12)21-11-6-4-3-5-7-11/h3-10H,1-2H3 |
| InChIKey | YVMNHBJDZTVOQQ-UHFFFAOYSA-N |
| Molecular Weight | 298.360 g/mol |
| SMILES | C1=C(C(=CC2=C1N=NC=C2SC=1C=CC=CC1)OC)OC |