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2-(4-Acetamidophenylaminocarbonyl)-4-(4-bromophenylazo)-3-hydroxy-5-phenylamino-thiophene
SpectraBase Compound ID 9U8UDZeQ82F
InChI InChI=1S/C25H20BrN5O3S/c1-15(32)27-18-11-13-19(14-12-18)28-24(34)23-22(33)21(31-30-20-9-7-16(26)8-10-20)25(35-23)29-17-5-3-2-4-6-17/h2-14,29,33H,1H3,(H,27,32)(H,28,34)
InChIKey HZQCHQDLGAEJKJ-UHFFFAOYSA-N
Mol Weight 550.43 g/mol
Molecular Formula C25H20BrN5O3S
Exact Mass 549.047024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8aAaKUxufXc
Name 2-(4-Acetamidophenylaminocarbonyl)-4-(4-bromophenylazo)-3-hydroxy-5-phenylamino-thiophene
Appearance Brown powder
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Formula C25H20BrN5O3S
InChI InChI=1S/C25H20BrN5O3S/c1-15(32)27-18-11-13-19(14-12-18)28-24(34)23-22(33)21(31-30-20-9-7-16(26)8-10-20)25(35-23)29-17-5-3-2-4-6-17/h2-14,29,33H,1H3,(H,27,32)(H,28,34)
InChIKey HZQCHQDLGAEJKJ-UHFFFAOYSA-N
Instrument Name Thermo Scientific Focus/DSQII
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3294
Molecular Weight 550.431 g/mol
SMILES N(C(C)=O)c1ccc(cc1)NC(c1sc(c(c1O)N=Nc1ccc(cc1)Br)Nc1ccccc1)=O
SPLASH splash10-002b-7401900000-ff38358d94c12aadd5b9
Source of Spectrum Y-55-2339-15c
Wiley ID 1878866