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2-Thiophenecarboxylic acid, 4-[[1-(3,4-dichlorophenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-yliden]methyl]phenyl ester
SpectraBase Compound ID 7BvPWCINmhn
InChI InChI=1S/C22H14Cl2N2O3S/c1-13-17(21(27)26(25-13)15-6-9-18(23)19(24)12-15)11-14-4-7-16(8-5-14)29-22(28)20-3-2-10-30-20/h2-12H,1H3/b17-11+
InChIKey GRYIGAVGJLMOMY-GZTJUZNOSA-N
Mol Weight 457.33 g/mol
Molecular Formula C22H14Cl2N2O3S
Exact Mass 456.010219 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2FOswr2dBy
Name 2-Thiophenecarboxylic acid, 4-[[1-(3,4-dichlorophenyl)-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 C22H14Cl2N2O3S
InChI InChI=1S/C22H14Cl2N2O3S/c1-13-17(21(27)26(25-13)15-6-9-18(23)19(24)12-15)11-14-4-7-16(8-5-14)29-22(28)20-3-2-10-30-20/h2-12H,1H3/b17-11+
InChIKey GRYIGAVGJLMOMY-GZTJUZNOSA-N
Molecular Weight 457.331 g/mol
SMILES c1c(\C=C\2C(N(N=C2C)c2ccc(c(c2)Cl)Cl)=O)ccc(OC(c2sccc2)=O)c1
SPLASH splash10-03di-2900000000-69222d8edd0d52108bd3
Source of Spectrum IY-1-4579-3
Synonyms 2-Thiophenecarboxylic acid [4-[(E)-[1-(3,4-dichlorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]phenyl] ester [4-[(E)-[1-(3,4-dichlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]phenyl] thiophene-2-carboxylate [4-[(E)-[1-(3,4-dichlorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]phenyl] thiophene-2-carboxylate [4-[(E)-[1-(3,4-dichlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]phenyl] thiophene-2-carboxylate
Wiley ID 1653776