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3-Methyl-4-(5-oxo-3-phenylthiazolidin-2-ylidene)-1-thiocarbamoyl-2-pyrazolin-5-one
SpectraBase Compound ID 6eTReKzM7Pv
InChI InChI=1S/C14H12N4O2S2/c1-8-11(12(20)18(16-8)14(15)21)13-17(7-10(19)22-13)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,15,21)
InChIKey RHGYACOXDLBHGJ-UHFFFAOYSA-N
Mol Weight 332.4 g/mol
Molecular Formula C14H12N4O2S2
Exact Mass 332.040168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2JnOcpBiafx
Name 3-Methyl-4-(5-oxo-3-phenylthiazolidin-2-ylidene)-1-thiocarbamoyl-2-pyrazolin-5-one
Appearance Orange crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12N4O2S2
InChI InChI=1S/C14H12N4O2S2/c1-8-11(12(20)18(16-8)14(15)21)13-17(7-10(19)22-13)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,15,21)
InChIKey RHGYACOXDLBHGJ-UHFFFAOYSA-N
Instrument Name Shimadzu Qp-2010 Plus
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2588
Molecular Weight 332.396 g/mol
SMILES NC(N1N=C(C)C(C1=O)=C1SC(CN1c1ccccc1)=O)=S
SPLASH splash10-0kcu-9232000000-5f7585b72785192d9853
Source of Spectrum Y-54-SM18-18
Thin-Layer Chromatography Rf = 0.66 (petroleum ether/ethyl acetate, 3:1)
Wiley ID 1877836