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4-(4-ethoxycarbonyl-phenylhydrazono)-1-(4,5-dihydro-4-oxothiazol-2-yl)-3-methyl-1H-pyrazol-5(4H)-one
SpectraBase Compound ID FhJJ17p3KDy
InChI InChI=1S/C16H15N5O4S/c1-3-25-15(24)10-4-6-11(7-5-10)18-19-13-9(2)20-21(14(13)23)16-17-12(22)8-26-16/h4-7,18H,3,8H2,1-2H3
InChIKey TWSUPWLTUMAWLU-UHFFFAOYSA-N
Mol Weight 373.39 g/mol
Molecular Formula C16H15N5O4S
Exact Mass 373.084475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3eWyEAUxbk
Name 4-(4-ethoxycarbonyl-phenylhydrazono)-1-(4,5-dihydro-4-oxothiazol-2-yl)-3-methyl-1H-pyrazol-5(4H)-one
Appearance Red crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N5O4S
InChI InChI=1S/C16H15N5O4S/c1-3-25-15(24)10-4-6-11(7-5-10)18-19-13-9(2)20-21(14(13)23)16-17-12(22)8-26-16/h4-7,18H,3,8H2,1-2H3
InChIKey TWSUPWLTUMAWLU-UHFFFAOYSA-N
Instrument Name Shimadzu Qp-2010 Plus
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2588
Molecular Weight 373.387 g/mol
SMILES N(c1ccc(C(OCC)=O)cc1)N=C1C(=NN(C1=O)C=1SCC(N1)=O)C
SPLASH splash10-003u-9252000000-1597791e8bd86cfd1e3e
Source of Spectrum Y-54-SM3-7
Thin-Layer Chromatography Rf = 0.44 (petroleum ether/ethyl acetate, 3:1)
Wiley ID 1877842