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4-(4-Chlorobenzylidene)-5-methyl-1-(4-(pyridin-3-yl)thiazol-2-yl)pyrazolidin-3-one
SpectraBase Compound ID IIt4lgWM4FY
InChI InChI=1S/C19H15ClN4OS/c1-12-16(9-13-4-6-15(20)7-5-13)18(25)23-24(12)19-22-17(11-26-19)14-3-2-8-21-10-14/h2-12H,1H3,(H,23,25)
InChIKey ZZEHKYTXFHAXRR-UHFFFAOYSA-N
Mol Weight 382.87 g/mol
Molecular Formula C19H15ClN4OS
Exact Mass 382.06551 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11jMzUwHD11
Name 4-(4-Chlorobenzylidene)-5-methyl-1-(4-(pyridin-3-yl)thiazol-2-yl)pyrazolidin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15ClN4OS
InChI InChI=1S/C19H15ClN4OS/c1-12-16(9-13-4-6-15(20)7-5-13)18(25)23-24(12)19-22-17(11-26-19)14-3-2-8-21-10-14/h2-12H,1H3,(H,23,25)
InChIKey ZZEHKYTXFHAXRR-UHFFFAOYSA-N
Instrument Name Finnigan MAT 8222 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2671
Molecular Weight 382.869 g/mol
SMILES N1N(C(C(C1=O)=Cc1ccc(cc1)Cl)C)c1nc(cs1)-c1cnccc1
SPLASH splash10-005c-1819000000-6faf42dab6e2f5cdfff8
Source of Spectrum Y-54-1040-11c
Wiley ID 1878032