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5,6,7-Trichloro-4-hydroxy-N-phenyl-3-(furan-2-yl)-1H-indazole-1-carbothioamide
SpectraBase Compound ID wYpfcc3AYB
InChI InChI=1S/C18H10Cl3N3O2S/c19-12-13(20)16-11(17(25)14(12)21)15(10-7-4-8-26-10)23-24(16)18(27)22-9-5-2-1-3-6-9/h1-8,25H,(H,22,27)
InChIKey KMUCSZCRKPTXOG-UHFFFAOYSA-N
Mol Weight 438.72 g/mol
Molecular Formula C18H10Cl3N3O2S
Exact Mass 436.955931 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KweGNTZJufW
Name 5,6,7-Trichloro-4-hydroxy-N-phenyl-3-(furan-2-yl)-1H-indazole-1-carbothioamide
Appearance Brown crystals
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Formula C18H10Cl3N3O2S
InChI InChI=1S/C18H10Cl3N3O2S/c19-12-13(20)16-11(17(25)14(12)21)15(10-7-4-8-26-10)23-24(16)18(27)22-9-5-2-1-3-6-9/h1-8,25H,(H,22,27)
InChIKey KMUCSZCRKPTXOG-UHFFFAOYSA-N
Instrument Name Varian MAT 311
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0008.f26
Molecular Weight 438.716 g/mol
SMILES Oc1c(c(c(c2[n](C(Nc3ccccc3)=S)nc(c12)-c1occc1)Cl)Cl)Cl
SPLASH splash10-0170-9701400000-a6f8c59ec62f6659ff71
Source of Spectrum ARK-2007-279-24d
Wiley ID 1868974