| SpectraBase Compound ID | 83DLbdGbdrp |
|---|---|
| InChI | InChI=1S/C4H4N2S/c5-1-3-7-4-2-6/h3-4H2 |
| InChIKey | YFUCPLPDBPZLGK-UHFFFAOYSA-N |
| Mol Weight | 112.15 g/mol |
| Molecular Formula | C4H4N2S |
| Exact Mass | 112.009519 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F32l4JKxO4n |
|---|---|
| Name | Thiodiacetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.009519311 u |
| Formula | C4H4N2S |
| InChI | InChI=1S/C4H4N2S/c5-1-3-7-4-2-6/h3-4H2 |
| InChIKey | YFUCPLPDBPZLGK-UHFFFAOYSA-N |
| Molecular Weight | 112.150 g/mol |
| SMILES | C(CSCC#N)#N |