SpectraBase Compound ID | HxkER48ovpw |
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InChI | InChI=1S/C5H11NS2/c1-4-7-2-5(6)3-8-4/h4-5H,2-3,6H2,1H3 |
InChIKey | GBGYBUUUZAIKJI-UHFFFAOYSA-N |
Mol Weight | 149.27 g/mol |
Molecular Formula | C5H11NS2 |
Exact Mass | 149.033292 g/mol |
SpectraBase Spectrum ID | IdqHci0mhBz |
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Name | 2-Methyl-m-dithian-5-amine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 149.033291706 u |
Formula | C5H11NS2 |
InChI | InChI=1S/C5H11NS2/c1-4-7-2-5(6)3-8-4/h4-5H,2-3,6H2,1H3 |
InChIKey | GBGYBUUUZAIKJI-UHFFFAOYSA-N |
SMILES | NC1CSC(C)SC1 |
Spectrum/Structure Validation Score (Raman) | 0.973373 |