![2-[2-oxo-2-(Thiophen-2-yl)ethyl]propanedinitrile](/api/spectrum/DtGrPOQ8t2N/structure.png?h=300&w=458 "2-[2-oxo-2-(Thiophen-2-yl)ethyl]propanedinitrile")
| SpectraBase Compound ID | 3zMzQisiGVm |
|---|---|
| InChI | InChI=1S/C9H6N2OS/c10-5-7(6-11)4-8(12)9-2-1-3-13-9/h1-3,7H,4H2 |
| InChIKey | UXFNCPLEBYWIGY-UHFFFAOYSA-N |
| Mol Weight | 190.22 g/mol |
| Molecular Formula | C9H6N2OS |
| Exact Mass | 190.020084 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DtGrPOQ8t2N |
|---|---|
| Name | 2-[2-oxo-2-(Thiophen-2-yl)ethyl]propanedinitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.020083994 u |
| Formula | C9H6N2OS |
| InChI | InChI=1S/C9H6N2OS/c10-5-7(6-11)4-8(12)9-2-1-3-13-9/h1-3,7H,4H2 |
| InChIKey | UXFNCPLEBYWIGY-UHFFFAOYSA-N |
| Molecular Weight | 190.220 g/mol |
| SMILES | C(#N)C(CC(C=1SC=CC1)=O)C#N |