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1-(7-benzoyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoro-ethanone
SpectraBase Compound ID H7CM0ul3Kue
InChI InChI=1S/C18H14F3NO2/c19-18(20,21)17(24)22-9-8-12-6-7-14(10-15(12)11-22)16(23)13-4-2-1-3-5-13/h1-7,10H,8-9,11H2
InChIKey TYMSCBJEKOHZIX-UHFFFAOYSA-N
Mol Weight 333.31 g/mol
Molecular Formula C18H14F3NO2
Exact Mass 333.097663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CYK0CIPH2XW
Name 1-(7-benzoyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoro-ethanone
Alternate Name(s) 2,2,2-tris(fluoranyl)-1-[7-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
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Formula C18H14F3NO2
InChI InChI=1S/C18H14F3NO2/c19-18(20,21)17(24)22-9-8-12-6-7-14(10-15(12)11-22)16(23)13-4-2-1-3-5-13/h1-7,10H,8-9,11H2
InChIKey TYMSCBJEKOHZIX-UHFFFAOYSA-N
Molecular Weight 333.310 g/mol
SMILES C1N(CCc2ccc(cc12)C(c1ccccc1)=O)C(=O)C(F)(F)F
SPLASH splash10-0a7i-7925000000-cd0893ae6c4fb59cc7e3
Source of Spectrum F2-42-132-45
Wiley ID 1599970