| SpectraBase Compound ID | A4koFsfNkmi |
|---|---|
| InChI | InChI=1S/C4H4N2O2S/c5-1-3-9(7,8)4-2-6/h3-4H2 |
| InChIKey | NNVQUTWFTPKDBS-UHFFFAOYSA-N |
| Mol Weight | 144.15 g/mol |
| Molecular Formula | C4H4N2O2S |
| Exact Mass | 143.999349 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CsUjYTmG87x |
|---|---|
| Name | Sulphonyl diacetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 143.999348549 u |
| Formula | C4H4N2O2S |
| InChI | InChI=1S/C4H4N2O2S/c5-1-3-9(7,8)4-2-6/h3-4H2 |
| InChIKey | NNVQUTWFTPKDBS-UHFFFAOYSA-N |
| SMILES | C(CS(=O)(=O)CC#N)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.911946 |