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N-(3-methoxyphenyl)-2-(4-ethoxyanilino)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide
SpectraBase Compound ID DSzH7knORjJ
InChI InChI=1S/C25H22N4O5S/c1-3-34-20-13-9-17(10-14-20)27-25-28-22(16-7-11-19(12-8-16)29(31)32)23(35-25)24(30)26-18-5-4-6-21(15-18)33-2/h4-15H,3H2,1-2H3,(H,26,30)(H,27,28)
InChIKey OZBWGMWMXSSRSH-UHFFFAOYSA-N
Mol Weight 490.53 g/mol
Molecular Formula C25H22N4O5S
Exact Mass 490.131091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LOJUNQivH3u
Name N-(3-Methoxyphenyl)-2-(4-ethoxyanilino)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 490.131090993 u
Formula C25H22N4O5S
InChI InChI=1S/C25H22N4O5S/c1-3-34-20-13-9-17(10-14-20)27-25-28-22(16-7-11-19(12-8-16)29(31)32)23(35-25)24(30)26-18-5-4-6-21(15-18)33-2/h4-15H,3H2,1-2H3,(H,26,30)(H,27,28)
InChIKey OZBWGMWMXSSRSH-UHFFFAOYSA-N
Molecular Weight 490.534 g/mol
SMILES N(C1=NC(=C(C(Nc2cc(OC)ccc2)=O)S1)c1ccc(N(=O)=O)cc1)c1ccc(cc1)OCC