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N-{2-[(4-Acetylphenyl)ethynyl]phenyl}-2,2,2-trifluoroacetamide
SpectraBase Compound ID 7d2RGRO2uZ6
InChI InChI=1S/C18H12F3NO2/c1-12(23)14-9-6-13(7-10-14)8-11-15-4-2-3-5-16(15)22-17(24)18(19,20)21/h2-7,9-10H,1H3,(H,22,24)
InChIKey JIQZGWCFXXUEAD-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 GeXCKCtJViU
Name N-{2-[(4-Acetylphenyl)ethynyl]phenyl}-2,2,2-trifluoroacetamide
Alternate Name(s) N-[2-[2-(4-acetylphenyl)ethynyl]phenyl]-2,2,2-trifluoro-acetamide N-[2-[2-(4-acetylphenyl)ethynyl]phenyl]-2,2,2-trifluoroacetamide N-[2-[2-(4-ethanoylphenyl)ethynyl]phenyl]-2,2,2-tris(fluoranyl)ethanamide
Comments Less than 3 mono-isotopic peaks
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Formula C18H12F3NO2
InChI InChI=1S/C18H12F3NO2/c1-12(23)14-9-6-13(7-10-14)8-11-15-4-2-3-5-16(15)22-17(24)18(19,20)21/h2-7,9-10H,1H3,(H,22,24)
InChIKey JIQZGWCFXXUEAD-UHFFFAOYSA-N
Molecular Weight 331.294 g/mol
SMILES N(C(C(F)(F)F)=O)c1c(C#Cc2ccc(C(=O)C)cc2)cccc1
SPLASH splash10-0159-0009000000-1771c3cdd838278dcec0
Source of Spectrum J-63-1009-1
Wiley ID 1328654