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3-Phenyl-4-[[3-(trifluoromethyl)benzyl]amino]cyclobut-3-ene-1,2-quinone
SpectraBase Compound ID 3JInyHLigLo
InChI InChI=1S/C18H12F3NO2/c19-18(20,21)13-8-4-5-11(9-13)10-22-15-14(16(23)17(15)24)12-6-2-1-3-7-12/h1-9,22H,10H2
InChIKey YVJRXSNYBXCLOW-UHFFFAOYSA-N
Mol Weight 331.29 g/mol
Molecular Formula C18H12F3NO2
Exact Mass 331.082013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5xwyTrZB30u
Name 3-phenyl-4-[[3-(trifluoromethyl)benzyl]amino]cyclobut-3-ene-1,2-quinone
Comments Less than 3 mono-isotopic peaks
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Formula C18H12F3NO2
InChI InChI=1S/C18H12F3NO2/c19-18(20,21)13-8-4-5-11(9-13)10-22-15-14(16(23)17(15)24)12-6-2-1-3-7-12/h1-9,22H,10H2
InChIKey YVJRXSNYBXCLOW-UHFFFAOYSA-N
Molecular Weight 331.294 g/mol
SMILES N(C=1C(C(C1c1ccccc1)=O)=O)Cc1cc(ccc1)C(F)(F)F
SPLASH splash10-000i-9002000000-b3f9bc7cb264fe35d763
Source of Spectrum K-2001-69-14
Synonyms 3-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-3-ene-1,2-dione
Wiley ID 1578316