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2-Thiophenecarboxylic acid, 4-[(1,5-dihydro-5-oxo-1,3-diphenyl-4H-pyrazol-4-yliden)methyl]phenyl ester
SpectraBase Compound ID G6JrexvYH7T
InChI InChI=1S/C27H18N2O3S/c30-26-23(18-19-13-15-22(16-14-19)32-27(31)24-12-7-17-33-24)25(20-8-3-1-4-9-20)28-29(26)21-10-5-2-6-11-21/h1-18H/b23-18+
InChIKey QGUIKMZEMKDKKR-PTGBLXJZSA-N
Mol Weight 450.51 g/mol
Molecular Formula C27H18N2O3S
Exact Mass 450.103814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5H635sC5g3o
Name 2-Thiophenecarboxylic acid, 4-[(1,5-dihydro-5-oxo-1,3-diphenyl-4H-pyrazol-4-yliden)methyl]phenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H18N2O3S
InChI InChI=1S/C27H18N2O3S/c30-26-23(18-19-13-15-22(16-14-19)32-27(31)24-12-7-17-33-24)25(20-8-3-1-4-9-20)28-29(26)21-10-5-2-6-11-21/h1-18H/b23-18+
InChIKey QGUIKMZEMKDKKR-PTGBLXJZSA-N
Molecular Weight 450.512 g/mol
SMILES c1c(ccc(OC(c2sccc2)=O)c1)\C=C\1C(N(c2ccccc2)N=C1c1ccccc1)=O
SPLASH splash10-03di-3900000000-13da4a667ed4d8d42de7
Source of Spectrum IY-1-4580-4
Synonyms 2-Thiophenecarboxylic acid [4-[(E)-(5-oxo-1,3-diphenyl-4-pyrazolylidene)methyl]phenyl] ester [4-[(E)-(5-oxo-1,3-diphenylpyrazol-4-ylidene)methyl]phenyl] thiophene-2-carboxylate [4-[(E)-(5-oxo-1,3-diphenyl-pyrazol-4-ylidene)methyl]phenyl] thiophene-2-carboxylate [4-[(E)-(5-oxidanylidene-1,3-diphenyl-pyrazol-4-ylidene)methyl]phenyl] thiophene-2-carboxylate
Wiley ID 1653787