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1-(2,6-dichlorophenyl)-2-sulfanylidene-3-pyridinecarboxylic acid
SpectraBase Compound ID 2qBpD6K7opM
InChI InChI=1S/C12H7Cl2NO2S/c13-8-4-1-5-9(14)10(8)15-6-2-3-7(11(15)18)12(16)17/h1-6H,(H,16,17)
InChIKey YVJILNLIUCXZTN-UHFFFAOYSA-N
Mol Weight 300.16 g/mol
Molecular Formula C12H7Cl2NO2S
Exact Mass 298.957455 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8IlZ4vbQxpz
Name 1-(2,6-dichlorophenyl)-2-sulfanylidene-3-pyridinecarboxylic acid
Alternate Name(s) 1-(2,6-dichlorophenyl)-2-sulfanylidenepyridine-3-carboxylic acid 1-(2,6-dichlorophenyl)-2-thioxo-nicotinic acid 1-(2,6-dichlorophenyl)-2-thioxo-pyridine-3-carboxylic acid 1-[2,6-bis(chloranyl)phenyl]-2-sulfanylidene-pyridine-3-carboxylic acid
CAS Registry Number 91540-59-9
Comments Less than 3 mono-isotopic peaks
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Formula C12H7Cl2NO2S
InChI InChI=1S/C12H7Cl2NO2S/c13-8-4-1-5-9(14)10(8)15-6-2-3-7(11(15)18)12(16)17/h1-6H,(H,16,17)
InChIKey YVJILNLIUCXZTN-UHFFFAOYSA-N
Molecular Weight 300.159 g/mol
SMILES OC(C=1C(N(c2c(Cl)cccc2Cl)C=CC1)=S)=O
SPLASH splash10-0229-0090000000-ae9d41b4cc0fec5e21f8
Source of Spectrum Y-21-45-4
Wiley ID 1301727