| SpectraBase Compound ID | D2T6fuT20ww |
|---|---|
| InChI | InChI=1S/C18H12N2S2/c1-2-4-14(5-3-1)18-20-16(12-22-18)13-6-8-15(9-7-13)17-19-10-11-21-17/h1-12H |
| InChIKey | XGTNVFFGTMMTQW-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C18H12N2S2 |
| Exact Mass | 320.044191 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9PfMy071NUZ |
|---|---|
| Name | 2'-Phenyl-2,4'-p-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/c1-2-4-14(5-3-1)18-20-16(12-22-18)13-6-8-15(9-7-13)17-19-10-11-21-17/h1-12H |
| InChIKey | XGTNVFFGTMMTQW-UHFFFAOYSA-N |
| Molecular Weight | 320.428 g/mol |
| SMILES | C1=C(C=CC(=C1)C1=CSC(C2=CC=CC=C2)=N1)C1=NC=CS1 |