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2-Thiophenecarboxylic acid, 4-[[1-(4-bromophenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-yliden]methyl]phenyl ester
SpectraBase Compound ID FQq4sniTZC2
InChI InChI=1S/C22H15BrN2O3S/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 VQIXYWDSQPXGCC-CPNJWEJPSA-N
Mol Weight 467.34 g/mol
Molecular Formula C22H15BrN2O3S
Exact Mass 465.998677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IAHVrrpIeIO
Name 2-Thiophenecarboxylic acid, 4-[[1-(4-bromophenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-yliden]methyl]phenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H15BrN2O3S
InChI InChI=1S/C22H15BrN2O3S/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 VQIXYWDSQPXGCC-CPNJWEJPSA-N
Molecular Weight 467.337 g/mol
SMILES c1c(\C=C\2C(N(N=C2C)c2ccc(cc2)Br)=O)ccc(OC(=O)c2sccc2)c1
SPLASH splash10-03di-3900000000-ebede8b20d25f3dfca27
Source of Spectrum IY-1-4580-2
Synonyms 2-Thiophenecarboxylic acid [4-[(E)-[1-(4-bromophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]phenyl] ester [4-[(E)-[1-(4-bromophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]phenyl] thiophene-2-carboxylate [4-[(E)-[1-(4-bromophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]phenyl] thiophene-2-carboxylate [4-[(E)-[1-(4-bromophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]phenyl] thiophene-2-carboxylate
Wiley ID 1653785