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1,6-Dimethyl-3-(perfluorophenyl)-3,4-dihydroisoquinoline
SpectraBase Compound ID FOQRtCpgJ4s
InChI InChI=1S/C17H12F5N/c1-7-3-4-10-8(2)23-11(6-9(10)5-7)12-13(18)15(20)17(22)16(21)14(12)19/h3-5,11H,6H2,1-2H3
InChIKey CCLMEHNSSHFHRC-UHFFFAOYSA-N
Mol Weight 325.28 g/mol
Molecular Formula C17H12F5N
Exact Mass 325.08899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D1rZCba0ZJu
Name 1,6-Dimethyl-3-(perfluorophenyl)-3,4-dihydroisoquinoline
Appearance Yellow oil
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Formula C17H12F5N
InChI InChI=1S/C17H12F5N/c1-7-3-4-10-8(2)23-11(6-9(10)5-7)12-13(18)15(20)17(22)16(21)14(12)19/h3-5,11H,6H2,1-2H3
InChIKey CCLMEHNSSHFHRC-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900922
Molecular Weight 325.282 g/mol
Reported Formula C17H12F5N
SMILES C1(=NC(Cc2cc(ccc12)C)c1c(c(c(c(c1F)F)F)F)F)C
SPLASH splash10-0a6r-0109000000-6290665d55fd85912784
Source of Spectrum ASC-361-SM19-3ah
Wiley ID 1838107