| SpectraBase Compound ID | DFr0gpEbO6S |
|---|---|
| InChI | InChI=1S/C15H10N2S/c1-11-2-5-14(6-3-11)18-15-7-4-12(9-16)13(8-15)10-17/h2-8H,1H3 |
| InChIKey | OFRWJSFSIHMYAF-UHFFFAOYSA-N |
| Mol Weight | 250.32 g/mol |
| Molecular Formula | C15H10N2S |
| Exact Mass | 250.05647 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4kDXVhzCyzJ |
|---|---|
| Name | 4-(4-Methylphenyl)sulfanylbenzene-1,2-dicarbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.056469504 u |
| Formula | C15H10N2S |
| InChI | InChI=1S/C15H10N2S/c1-11-2-5-14(6-3-11)18-15-7-4-12(9-16)13(8-15)10-17/h2-8H,1H3 |
| InChIKey | OFRWJSFSIHMYAF-UHFFFAOYSA-N |
| Molecular Weight | 250.319 g/mol |
| SMILES | C(#N)C=1C(C#N)=CC=C(SC=2C=CC(=CC2)C)C1 |