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3-(methylthio)-1-(2,4,6-trichlorophenyl)-1H-pyrazol-5(4H)-one
SpectraBase Compound ID mtDVBXUm8R
InChI InChI=1S/C10H7Cl3N2OS/c1-17-8-4-9(16)15(14-8)10-6(12)2-5(11)3-7(10)13/h2-3H,4H2,1H3
InChIKey ICZXOOHABUIVSI-UHFFFAOYSA-N
Mol Weight 309.6 g/mol
Molecular Formula C10H7Cl3N2OS
Exact Mass 307.934467 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3X0ziUdt2IJ
Name 3-(methylthio)-1-(2,4,6-trichlorophenyl)-1H-pyrazol-5(4H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H7Cl3N2OS
InChI InChI=1S/C10H7Cl3N2OS/c1-17-8-4-9(16)15(14-8)10-6(12)2-5(11)3-7(10)13/h2-3H,4H2,1H3
InChIKey ICZXOOHABUIVSI-UHFFFAOYSA-N
Molecular Weight 309.598 g/mol
SMILES CSC1=NN(C(=O)C1)c1c(Cl)cc(Cl)cc1Cl
SPLASH splash10-08mi-6934000000-14f6d65b013c1801dfc0
Source of Spectrum JX-2015-2-1926
Synonyms 5-(methylsulfanyl)-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one 5-(methylthio)-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one 5-Methylsulfanyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one 5-Methylsulfanyl-2-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-3-one
Wiley ID 1723536