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3-Phenyl-4-[4-(trifluoromethoxy)benzylamino]cyclobutene-1,2-dione
SpectraBase Compound ID 4IIFf9t1tQv
InChI InChI=1S/C18H12F3NO3/c19-18(20,21)25-13-8-6-11(7-9-13)10-22-15-14(16(23)17(15)24)12-4-2-1-3-5-12/h1-9,22H,10H2
InChIKey CHGIPFUCBQVZPW-UHFFFAOYSA-N
Mol Weight 347.29 g/mol
Molecular Formula C18H12F3NO3
Exact Mass 347.076928 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7DXqjp4a5Zp
Name 3-Phenyl-4-[4-(trifluoromethoxy)benzylamino]cyclobutene-1,2-dione
Alternate Name(s) 3-phenyl-4-{[4-(trifluoromethoxy)benzyl]amino}-3-cyclobutene-1,2-dione 3-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]cyclobut-3-ene-1,2-dione 3-phenyl-4-[[4-(trifluoromethyloxy)phenyl]methylamino]cyclobut-3-ene-1,2-dione
Comments Less than 3 mono-isotopic peaks
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Formula C18H12F3NO3
InChI InChI=1S/C18H12F3NO3/c19-18(20,21)25-13-8-6-11(7-9-13)10-22-15-14(16(23)17(15)24)12-4-2-1-3-5-12/h1-9,22H,10H2
InChIKey CHGIPFUCBQVZPW-UHFFFAOYSA-N
Molecular Weight 347.293 g/mol
SMILES N(C=1C(C(C1c1ccccc1)=O)=O)Cc1ccc(cc1)OC(F)(F)F
SPLASH splash10-0002-0309000000-96f8bb360aba4a154d95
Source of Spectrum K-2001-69-14
Wiley ID 1578315