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1-chloro-7-cyclopentylisoquinoline
SpectraBase Compound ID BLhDxwkF1pL
InChI InChI=1S/C14H14ClN/c15-14-13-9-12(10-3-1-2-4-10)6-5-11(13)7-8-16-14/h5-10H,1-4H2
InChIKey UAJFBTYNPQIBPP-UHFFFAOYSA-N
Mol Weight 231.73 g/mol
Molecular Formula C14H14ClN
Exact Mass 231.081477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vhUq4TmjPl
Name 1-chloro-7-cyclopentylisoquinoline
Appearance Yellow oil
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Exact Mass 231.081477155 u
Formula C14H14ClN
InChI InChI=1S/C14H14ClN/c15-14-13-9-12(10-3-1-2-4-10)6-5-11(13)7-8-16-14/h5-10H,1-4H2
InChIKey UAJFBTYNPQIBPP-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701691
Molecular Weight 231.726 g/mol
Quality 149
Reported Formula C14H14ClN
SMILES C1(Cl)=NC=CC2=C1C=C(C=C2)C1CCCC1
SPLASH splash10-0f89-0890000000-145c8062515939afeffa
Source of Spectrum ACI-56-SM15-4m (DOI: 10.1002/anie.201701691)
Thin-Layer Chromatography 0.71 (Hexane/EtOAc, 1:1)
Wiley ID 1895995