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3-benzothiazol-2-yl-6-phenyl-5-(4-trifluoromethyl-phenylazo)-1H-pyridin-2-one
SpectraBase Compound ID L44QpP63ZOe
InChI InChI=1S/C25H15F3N4OS/c26-25(27,28)16-10-12-17(13-11-16)31-32-20-14-18(24-29-19-8-4-5-9-21(19)34-24)23(33)30-22(20)15-6-2-1-3-7-15/h1-14H,(H,30,33)
InChIKey JDZAIYDCHVHGEF-UHFFFAOYSA-N
Mol Weight 476.48 g/mol
Molecular Formula C25H15F3N4OS
Exact Mass 476.091867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28e17uae1cE
Name 3-benzothiazol-2-yl-6-phenyl-5-(4-trifluoromethyl-phenylazo)-1H-pyridin-2-one
Appearance Yellow crystals
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Formula C25H15F3N4OS
InChI InChI=1S/C25H15F3N4OS/c26-25(27,28)16-10-12-17(13-11-16)31-32-20-14-18(24-29-19-8-4-5-9-21(19)34-24)23(33)30-22(20)15-6-2-1-3-7-15/h1-14H,(H,30,33)
InChIKey JDZAIYDCHVHGEF-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1016/j.jscs.2023.101647
Molecular Weight 476.477 g/mol
Quality 273
SMILES N1C(=C(C=C(C1=O)C=1SC2=C(N1)C=CC=C2)N=NC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1
SPLASH splash10-004i-1300900000-fb82f4e9542cd68d487c
Source of Spectrum SCS-27-SM14-3h (DOI: 10.1016/j.jscs.2023.101647)
Wiley ID 1911758