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4-(1,3-dithiolan-2-ylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID FCLguosB7RJ
InChI InChI=1S/C13H12N2OS2/c1-9-11(13-17-7-8-18-13)12(16)15(14-9)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey UXLPBHIVTDXRPX-UHFFFAOYSA-N
Mol Weight 276.37 g/mol
Molecular Formula C13H12N2OS2
Exact Mass 276.039105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMRjBtLwYIJ
Name 4-(1,3-dithiolan-2-ylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Alternate Name(s) 4-(1,3-dithiolan-2-ylidene)-5-methyl-2-phenyl-2-pyrazolin-3-one 4-(1,3-dithiolan-2-ylidene)-5-methyl-2-phenyl-3-pyrazolone 4-(1,3-dithiolan-2-ylidene)-5-methyl-2-phenyl-pyrazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2OS2
InChI InChI=1S/C13H12N2OS2/c1-9-11(13-17-7-8-18-13)12(16)15(14-9)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey UXLPBHIVTDXRPX-UHFFFAOYSA-N
Molecular Weight 276.372 g/mol
SMILES C1(C(C(C)=NN1c1ccccc1)=C1SCCS1)=O
SPLASH splash10-016r-0090000000-f7a867a3d52d6b23f5a4
Source of Spectrum SK-20-482-11
Wiley ID 851346