SpectraBase Compound ID | BNiICabwc32 |
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InChI | InChI=1S/C10H13N3S2/c1-8(9-6-4-5-7-11-9)12-13-10(14-2)15-3/h4-7H,1-3H3/b12-8+ |
InChIKey | STAVLCXMWKVFNZ-XYOKQWHBSA-N |
Mol Weight | 239.35 g/mol |
Molecular Formula | C10H13N3S2 |
Exact Mass | 239.05509 g/mol |
SpectraBase Spectrum ID | IIqjYsjmFtN |
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Name | Pyridine, 2-[1-[N',N'-bis(methylthio)methylene]hydrazono]ethyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 239.055089779 u |
Formula | C10H13N3S2 |
InChI | InChI=1S/C10H13N3S2/c1-8(9-6-4-5-7-11-9)12-13-10(14-2)15-3/h4-7H,1-3H3/b12-8+ |
InChIKey | STAVLCXMWKVFNZ-XYOKQWHBSA-N |
SMILES | C1(=CC=CC=N1)\C(=N\N=C(SC)SC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935761 |