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3-Methyl-4-((1,3-diphenyl-1H-pyrazol-4-yl)methylene)-1-(4-phenylthiazol-2-yl)-2-pyrazolin-5-one
SpectraBase Compound ID 8nJzdxQgJoy
InChI InChI=1S/C29H21N5OS/c1-20-25(28(35)34(31-20)29-30-26(19-36-29)21-11-5-2-6-12-21)17-23-18-33(24-15-9-4-10-16-24)32-27(23)22-13-7-3-8-14-22/h2-19H,1H3
InChIKey YOURPCHUPSSYJX-UHFFFAOYSA-N
Mol Weight 487.58 g/mol
Molecular Formula C29H21N5OS
Exact Mass 487.146681 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ez4LNsYghkw
Name 3-Methyl-4-((1,3-diphenyl-1H-pyrazol-4-yl)methylene)-1-(4-phenylthiazol-2-yl)-2-pyrazolin-5-one
Appearance Brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H21N5OS
InChI InChI=1S/C29H21N5OS/c1-20-25(28(35)34(31-20)29-30-26(19-36-29)21-11-5-2-6-12-21)17-23-18-33(24-15-9-4-10-16-24)32-27(23)22-13-7-3-8-14-22/h2-19H,1H3
InChIKey YOURPCHUPSSYJX-UHFFFAOYSA-N
Instrument Name Shimadzu Qp-2010 Plus
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2588
Molecular Weight 487.581 g/mol
SMILES CC1=NN(C(C1=Cc1c(n[n](c1)-c1ccccc1)-c1ccccc1)=O)c1scc(n1)-c1ccccc1
SPLASH splash10-0udi-3943200000-0404948a1af4e3d78330
Source of Spectrum Y-54-SM16-14b
Thin-Layer Chromatography Rf = 0.41 (petroleum ether/ethyl acetate, 3:1)
Wiley ID 1877835