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4-(4-Ethoxycarbonyl-phenylhydrazono)-3-methyl-1-(4-aminothiazol-2-yl)-2-pyrazolin-5-one
SpectraBase Compound ID BA2KOJkjamA
InChI InChI=1S/C16H16N6O3S/c1-3-25-15(24)10-4-6-11(7-5-10)19-20-13-9(2)21-22(14(13)23)16-18-12(17)8-26-16/h4-8,19H,3,17H2,1-2H3
InChIKey TUPGSGBWFSOBNC-UHFFFAOYSA-N
Mol Weight 372.4 g/mol
Molecular Formula C16H16N6O3S
Exact Mass 372.10046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EXgxL2iMsPP
Name 4-(4-Ethoxycarbonyl-phenylhydrazono)-3-methyl-1-(4-aminothiazol-2-yl)-2-pyrazolin-5-one
Appearance Yellowish green crystals
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Formula C16H16N6O3S
InChI InChI=1S/C16H16N6O3S/c1-3-25-15(24)10-4-6-11(7-5-10)19-20-13-9(2)21-22(14(13)23)16-18-12(17)8-26-16/h4-8,19H,3,17H2,1-2H3
InChIKey TUPGSGBWFSOBNC-UHFFFAOYSA-N
Instrument Name Shimadzu Qp-2010 Plus
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2588
Molecular Weight 372.403 g/mol
SMILES N(c1ccc(C(OCC)=O)cc1)N=C1C(=NN(c2scc(n2)N)C1=O)C
SPLASH splash10-00vi-8945000000-e1d407eb7bc03339cd6c
Source of Spectrum Y-54-SM5-8
Thin-Layer Chromatography Rf = 0.68 (petroleum ether/ethyl acetate, 3:1)
Wiley ID 1877843