| SpectraBase Compound ID | KfTgrHB4x6m |
|---|---|
| InChI | InChI=1S/C18H12N2S2/c1-2-5-13(6-3-1)18-20-16(12-22-18)14-7-4-8-15(11-14)17-19-9-10-21-17/h1-12H |
| InChIKey | SBIWXKHCEQTDJN-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C18H12N2S2 |
| Exact Mass | 320.044191 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | dtWzbouEhj |
|---|---|
| Name | 2'-Phenyl-2,4'-m-phenylenedithiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.044190742 u |
| Formula | C18H12N2S2 |
| InChI | InChI=1S/C18H12N2S2/c1-2-5-13(6-3-1)18-20-16(12-22-18)14-7-4-8-15(11-14)17-19-9-10-21-17/h1-12H |
| InChIKey | SBIWXKHCEQTDJN-UHFFFAOYSA-N |
| Molecular Weight | 320.428 g/mol |
| SMILES | C1=C(C=CC=C1C=1N=C(SC1)C1=CC=CC=C1)C1=NC=CS1 |