| SpectraBase Compound ID | Avfcolhoo8a |
|---|---|
| InChI | InChI=1S/C7H5N5S/c8-1-2-13-7-5-6(10-3-9-5)11-4-12-7/h3-4H,2H2,(H,9,10,11,12) |
| InChIKey | YPTKQMBEDCVGLW-UHFFFAOYSA-N |
| Mol Weight | 191.21 g/mol |
| Molecular Formula | C7H5N5S |
| Exact Mass | 191.026566 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 97KjbieSLYB |
|---|---|
| Name | (9H-Purin-6-ylsulfanyl)acetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.026566355 u |
| Formula | C7H5N5S |
| InChI | InChI=1S/C7H5N5S/c8-1-2-13-7-5-6(10-3-9-5)11-4-12-7/h3-4H,2H2,(H,9,10,11,12) |
| InChIKey | YPTKQMBEDCVGLW-UHFFFAOYSA-N |
| SMILES | C(SC1=NC=NC2=C1N=CN2)C#N |