| SpectraBase Compound ID | 91p7NHxp8Be |
|---|---|
| InChI | InChI=1S/C6H9NS2/c7-3-2-6-8-4-1-5-9-6/h6H,1-2,4-5H2 |
| InChIKey | JORGYYZMPNJQKU-UHFFFAOYSA-N |
| Mol Weight | 159.26 g/mol |
| Molecular Formula | C6H9NS2 |
| Exact Mass | 159.017642 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9In2aX00lKw |
|---|---|
| Name | (1,3-Dithian-2-yl)acetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.017641642 u |
| Formula | C6H9NS2 |
| InChI | InChI=1S/C6H9NS2/c7-3-2-6-8-4-1-5-9-6/h6H,1-2,4-5H2 |
| InChIKey | JORGYYZMPNJQKU-UHFFFAOYSA-N |
| SMILES | C(#N)CC1SCCCS1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916987 |