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1-(4'-BROMOPHENYL)-5-(3,3,3-TRIFLUORO-2-OXO-PROPYLIDENE)-PYRROLIDIN-2-ONE
SpectraBase Compound ID I52zWDG2BXI
InChI InChI=1S/C13H9BrF3NO2/c14-8-1-3-9(4-2-8)18-10(5-6-12(18)20)7-11(19)13(15,16)17/h1-4,7H,5-6H2/b10-7+
InChIKey FILCYQYZZLDGFC-JXMROGBWSA-N
Mol Weight 348.12 g/mol
Molecular Formula C13H9BrF3NO2
Exact Mass 346.976876 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0T9uqLoovE
Name 1-(p-Bromophenyl)-5-[3',3',3'-trifluoro-2'-oxopropylidene]pyrrolidin-2-one
Alternate Name(s) 1-(4-bromophenyl)-5-(3,3,3-trifluoro-2-oxopropylidene)pyrrolidin-2-one (E)-1-(4-bromophenyl)-5-(3,3,3-trifluoro-2-oxopropylidene)pyrrolidin-2-one
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Formula C13H9BrF3NO2
InChI InChI=1S/C13H9BrF3NO2/c14-8-1-3-9(4-2-8)18-10(5-6-12(18)20)7-11(19)13(15,16)17/h1-4,7H,5-6H2/b10-7+
InChIKey FILCYQYZZLDGFC-JXMROGBWSA-N
Literature Reference DOI 10.1080/00397911.2014.978504
Molecular Weight 348.119 g/mol
SMILES C1\C(N(C(C1)=O)c1ccc(cc1)Br)=C/C(=O)C(F)(F)F
SPLASH splash10-004i-1193000000-5226d4f00b462f6c1676
Source of Spectrum B1-45-692/SMS11-4r
Wiley ID 1757528