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5,6,7-Trichloro-4-hydroxyl-N,3-phenyl-1H-indazole-1-carbothioamide
SpectraBase Compound ID 31Q0ingzULx
InChI InChI=1S/C20H12Cl3N3OS/c21-14-15(22)18-13(19(27)16(14)23)17(11-7-3-1-4-8-11)25-26(18)20(28)24-12-9-5-2-6-10-12/h1-10,27H,(H,24,28)
InChIKey ZKFAFAIKQKZPKY-UHFFFAOYSA-N
Mol Weight 448.76 g/mol
Molecular Formula C20H12Cl3N3OS
Exact Mass 446.976666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5uSUP7Sjvuw
Name 5,6,7-Trichloro-4-hydroxyl-N,3-phenyl-1H-indazole-1-carbothioamide
Appearance Brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H12Cl3N3OS
InChI InChI=1S/C20H12Cl3N3OS/c21-14-15(22)18-13(19(27)16(14)23)17(11-7-3-1-4-8-11)25-26(18)20(28)24-12-9-5-2-6-10-12/h1-10,27H,(H,24,28)
InChIKey ZKFAFAIKQKZPKY-UHFFFAOYSA-N
Instrument Name Varian MAT 311
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0008.f26
Molecular Weight 448.755 g/mol
SMILES Oc1c(c(c(c2[n](C(Nc3ccccc3)=S)nc(c12)-c1ccccc1)Cl)Cl)Cl
SPLASH splash10-0fbi-8921500000-b8732396336c60f4f50f
Source of Spectrum ARK-2007-278-24a
Wiley ID 1868971