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1-[1-(Phenoxycarbonyl)-2,2,2-trifluoroethyl]-3,4-dihydroisoquinoline
SpectraBase Compound ID 9kRyX81cl9y
InChI InChI=1S/C18H14F3NO2/c19-18(20,21)15(17(23)24-13-7-2-1-3-8-13)16-14-9-5-4-6-12(14)10-11-22-16/h1-9,15H,10-11H2
InChIKey MGDPSXUEMQGRAN-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 C0UmK7czQwH
Name 1-[1-(Phenoxycarbonyl)-2,2,2-trifluoroethyl]-3,4-dihydroisoquinoline
Comments Less than 3 mono-isotopic peaks
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Formula C18H14F3NO2
InChI InChI=1S/C18H14F3NO2/c19-18(20,21)15(17(23)24-13-7-2-1-3-8-13)16-14-9-5-4-6-12(14)10-11-22-16/h1-9,15H,10-11H2
InChIKey MGDPSXUEMQGRAN-UHFFFAOYSA-N
Molecular Weight 333.310 g/mol
SMILES C=1(C(C(Oc2ccccc2)=O)C(F)(F)F)c2c(cccc2)CCN1
SPLASH splash10-0a4i-0091000000-0b974d9cc224c95fbc32
Source of Spectrum H1-48-291-3
Synonyms 1-[2-(Phenoxycarbonyl)-1,1,1-trifluoroethyl]-3,4-dihydroisoquinoline phenyl 2-(3,4-dihydro-1-isoquinolinyl)-3,3,3-trifluoropropanoate
Wiley ID 816232