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4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}-2-ethoxyphenyl 2-thiophenecarboxylate
SpectraBase Compound ID 5EiMaGbD1ss
InChI InChI=1S/C25H23N3O4S/c1-4-31-21-15-18(12-13-20(21)32-25(30)22-11-8-14-33-22)16-26-23-17(2)27(3)28(24(23)29)19-9-6-5-7-10-19/h5-16H,4H2,1-3H3/b26-16+
InChIKey UMWMGOKLQOMOFP-WGOQTCKBSA-N
Mol Weight 461.54 g/mol
Molecular Formula C25H23N3O4S
Exact Mass 461.140927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5J3YXa1fJaU
Name 4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}-2-ethoxyphenyl 2-thiophenecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23N3O4S
InChI InChI=1S/C25H23N3O4S/c1-4-31-21-15-18(12-13-20(21)32-25(30)22-11-8-14-33-22)16-26-23-17(2)27(3)28(24(23)29)19-9-6-5-7-10-19/h5-16H,4H2,1-3H3/b26-16+
InChIKey UMWMGOKLQOMOFP-WGOQTCKBSA-N
Molecular Weight 461.536 g/mol
SMILES C=1(C(N(c2ccccc2)N(C1C)C)=O)\N=C\c1cc(OCC)c(OC(c2sccc2)=O)cc1
SPLASH splash10-03di-3901200000-978fd347fee86eac8c8c
Synonyms 4-{(E)-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}-2-ethoxyphenyl 2-thiophenecarboxylate Thiophene-2-carboxylic acid 4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylimino)-methyl]-2-ethoxy-phenyl ester
Wiley ID 1464599