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4-(4-Ethoxycarbonyl-phenylhydrazono)-3-methyl-1-(4-phenylthiazol-2-yl)--2-pyrazolin-5-one
SpectraBase Compound ID EhbOvw0vec6
InChI InChI=1S/C22H19N5O3S/c1-3-30-21(29)16-9-11-17(12-10-16)24-25-19-14(2)26-27(20(19)28)22-23-18(13-31-22)15-7-5-4-6-8-15/h4-13,24H,3H2,1-2H3
InChIKey NISSSRRNVUXYIG-UHFFFAOYSA-N
Mol Weight 433.49 g/mol
Molecular Formula C22H19N5O3S
Exact Mass 433.120861 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DVlLL6AwIO
Name 4-(4-Ethoxycarbonyl-phenylhydrazono)-3-methyl-1-(4-phenylthiazol-2-yl)--2-pyrazolin-5-one
Appearance Red powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19N5O3S
InChI InChI=1S/C22H19N5O3S/c1-3-30-21(29)16-9-11-17(12-10-16)24-25-19-14(2)26-27(20(19)28)22-23-18(13-31-22)15-7-5-4-6-8-15/h4-13,24H,3H2,1-2H3
InChIKey NISSSRRNVUXYIG-UHFFFAOYSA-N
Instrument Name Shimadzu Qp-2010 Plus
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2588
Molecular Weight 433.486 g/mol
SMILES N(c1ccc(C(OCC)=O)cc1)N=C1C(=NN(C1=O)c1scc(n1)-c1ccccc1)C
SPLASH splash10-052f-2496200000-883d55350118809383f1
Source of Spectrum Y-54-337-9b
Thin-Layer Chromatography Rf = 0.46 (petroleum ether/ethyl acetate, 3:1)
Wiley ID 1877834