| SpectraBase Compound ID | 5JvD2HHcC2O |
|---|---|
| InChI | InChI=1S/C6H4N2S2/c1-5(9-3-7)6(2)10-4-8/h1-2H2 |
| InChIKey | CXTQMRAVCWIXDO-UHFFFAOYSA-N |
| Mol Weight | 168.23 g/mol |
| Molecular Formula | C6H4N2S2 |
| Exact Mass | 167.98159 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LJPl8ivUTe0 |
|---|---|
| Name | (1-Methylene-2-thiocyanato-allyl) thiocyanate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.981590485 u |
| Formula | C6H4N2S2 |
| InChI | InChI=1S/C6H4N2S2/c1-5(9-3-7)6(2)10-4-8/h1-2H2 |
| InChIKey | CXTQMRAVCWIXDO-UHFFFAOYSA-N |
| SMILES | C(#N)SC(C(SC#N)=C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964459 |