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Carbothioamide, 1-hydrazine-2-[1-(2,6-dichlorophenyl) methylidene]
SpectraBase Compound ID 39EDTiXkU8v
InChI InChI=1S/C8H7Cl2N3S/c9-6-2-1-3-7(10)5(6)4-12-13-8(11)14/h1-4H,(H3,11,13,14)/b12-4+
InChIKey JWTQZQFPOKSWPZ-UUILKARUSA-N
Mol Weight 248.13 g/mol
Molecular Formula C8H7Cl2N3S
Exact Mass 246.973774 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KEda9ITIHhM
Name Carbothioamide, 1-hydrazine-2-[1-(2,6-dichlorophenyl) methylidene]
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.973773811 u
Formula C8H7Cl2N3S
InChI InChI=1S/C8H7Cl2N3S/c9-6-2-1-3-7(10)5(6)4-12-13-8(11)14/h1-4H,(H3,11,13,14)/b12-4+
InChIKey JWTQZQFPOKSWPZ-UUILKARUSA-N
Molecular Weight 248.131 g/mol
SMILES C1=C(Cl)C(\C=N\NC(=S)N)=C(C=C1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.924404