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2-Thiophenecarboxylic acid, 4-[[1,5-dihydro-1-(4-iodophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yliden]methyl]phenyl ester
SpectraBase Compound ID 2dHGX2zJ62f
InChI InChI=1S/C22H15IN2O3S/c1-14-19(21(26)25(24-14)17-8-6-16(23)7-9-17)13-15-4-10-18(11-5-15)28-22(27)20-3-2-12-29-20/h2-13H,1H3/b19-13+
InChIKey LJRBVEOFVKYMQE-CPNJWEJPSA-N
Mol Weight 514.34 g/mol
Molecular Formula C22H15IN2O3S
Exact Mass 513.984809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CUF2X2b75LG
Name 2-Thiophenecarboxylic acid, 4-[[1,5-dihydro-1-(4-iodophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yliden]methyl]phenyl ester
Alternate Name(s) 2-Thiophenecarboxylic acid [4-[(E)-[1-(4-iodophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]phenyl] ester [4-[(E)-[1-(4-iodophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]phenyl] thiophene-2-carboxylate [4-[(E)-[1-(4-iodophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]phenyl] thiophene-2-carboxylate [4-[(E)-[1-(4-iodophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]phenyl] thiophene-2-carboxylate
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Formula C22H15IN2O3S
InChI InChI=1S/C22H15IN2O3S/c1-14-19(21(26)25(24-14)17-8-6-16(23)7-9-17)13-15-4-10-18(11-5-15)28-22(27)20-3-2-12-29-20/h2-13H,1H3/b19-13+
InChIKey LJRBVEOFVKYMQE-CPNJWEJPSA-N
Molecular Weight 514.337 g/mol
SMILES c1c(\C=C\2C(N(c3ccc(cc3)I)N=C2C)=O)ccc(OC(=O)c2sccc2)c1
SPLASH splash10-03di-2910000000-df75d010f14eb392232d
Source of Spectrum IY-1-4580-3
Wiley ID 1653786