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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 67GY7iUWnuM
Name 1-chloro-7-cyclopentylisoquinoline
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Instrument Name Finnigan MAT 95
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.202002528
Molecular Weight 231.726 g/mol
Reported Formula C14H14ClN
SMILES c1cc2c(c(n1)Cl)cc(cc2)C1CCCC1
SPLASH splash10-0f8i-0980000000-7ac6ba9daf2cfe327776
Source of Spectrum ACI-59-SM15-4m
Thin-Layer Chromatography Rf = 0.71 (Hexane/EtOAc, 1:1)
Wiley ID 1857909