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2-(4-Acetamidophenylaminocarbonyl)-3-hydroxy-5-phenylamino-4-(4-tolylazo)-thiophene
SpectraBase Compound ID 2mUtjg5Umls
InChI InChI=1S/C26H23N5O3S/c1-16-8-10-21(11-9-16)30-31-22-23(33)24(35-26(22)29-18-6-4-3-5-7-18)25(34)28-20-14-12-19(13-15-20)27-17(2)32/h3-15,29,33H,1-2H3,(H,27,32)(H,28,34)
InChIKey AZDVSNYSNPQGJE-UHFFFAOYSA-N
Mol Weight 485.56 g/mol
Molecular Formula C26H23N5O3S
Exact Mass 485.152161 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1S0aI2FxJI
Name 2-(4-Acetamidophenylaminocarbonyl)-3-hydroxy-5-phenylamino-4-(4-tolylazo)-thiophene
Appearance Reddish brown crystals
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Formula C26H23N5O3S
InChI InChI=1S/C26H23N5O3S/c1-16-8-10-21(11-9-16)30-31-22-23(33)24(35-26(22)29-18-6-4-3-5-7-18)25(34)28-20-14-12-19(13-15-20)27-17(2)32/h3-15,29,33H,1-2H3,(H,27,32)(H,28,34)
InChIKey AZDVSNYSNPQGJE-UHFFFAOYSA-N
Instrument Name Thermo Scientific Focus/DSQII
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3294
Molecular Weight 485.562 g/mol
SMILES N(C(C)=O)c1ccc(cc1)NC(c1sc(c(c1O)N=Nc1ccc(cc1)C)Nc1ccccc1)=O
SPLASH splash10-01qi-9205400000-c88f82a36aa6944fe04d
Source of Spectrum Y-55-2339-15b
Wiley ID 1878865