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4-Butyl-3-fluoro-isoquinoline - N-Oxide
SpectraBase Compound ID 6kAoQCIr8yl
InChI InChI=1S/C13H14FNO/c1-2-3-7-12-11-8-5-4-6-10(11)9-15(16)13(12)14/h4-6,8-9H,2-3,7H2,1H3
InChIKey CXKWTWFWNZTNGS-UHFFFAOYSA-N
Mol Weight 219.26 g/mol
Molecular Formula C13H14FNO
Exact Mass 219.105942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AXaAjsAnLiQ
Name 4-Butyl-3-fluoro-isoquinoline - N-Oxide
Alternate Name(s) 4-Butyl-3-fluoroisoquinoline - N-Oxide 4-Butyl-3-fluoroisoquinoline 2-oxide 4-Butyl-3-fluoro-2-oxidoisoquinolin-2-ium 4-Butyl-3-fluoranyl-2-oxidanidyl-isoquinolin-2-ium
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Formula C13H14FNO
InChI InChI=1S/C13H14FNO/c1-2-3-7-12-11-8-5-4-6-10(11)9-15(16)13(12)14/h4-6,8-9H,2-3,7H2,1H3
InChIKey CXKWTWFWNZTNGS-UHFFFAOYSA-N
Molecular Weight 219.259 g/mol
SMILES c1([n+](cc2c(c1CCCC)cccc2)[O-])F
SPLASH splash10-02t9-0970000000-e643f2d62d43eaed93e3
Source of Spectrum F5-5-3959-5a
Wiley ID 1733346