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1-(4-oxo-4-phenylbutanoyl) pyrazolidine-3,5-dione
SpectraBase Compound ID EOXqupQDkRs
InChI InChI=1S/C13H12N2O4/c16-10(9-4-2-1-3-5-9)6-7-12(18)15-13(19)8-11(17)14-15/h1-5H,6-8H2,(H,14,17)
InChIKey AJPCZUZWASVRFP-UHFFFAOYSA-N
Mol Weight 260.25 g/mol
Molecular Formula C13H12N2O4
Exact Mass 260.079707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IwSaMeFg0et
Name 1-(4-oxo-4-phenylbutanoyl) pyrazolidine-3,5-dione
Appearance White crystals
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Formula C13H12N2O4
InChI InChI=1S/C13H12N2O4/c16-10(9-4-2-1-3-5-9)6-7-12(18)15-13(19)8-11(17)14-15/h1-5H,6-8H2,(H,14,17)
InChIKey AJPCZUZWASVRFP-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4216
Molecular Weight 260.249 g/mol
SMILES N1C(CC(N1C(CCC(=O)c1ccccc1)=O)=O)=O
SPLASH splash10-03dj-0590000000-9e3c26a03e280778e085
Source of Spectrum Y-58-SM6-3
Wiley ID 1880912