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2-bromo-4-(butylthio)quinoline
SpectraBase Compound ID 6AhsIQQkkZp
InChI InChI=1S/C13H14BrNS/c1-2-3-8-16-12-9-13(14)15-11-7-5-4-6-10(11)12/h4-7,9H,2-3,8H2,1H3
InChIKey ZOUZOUVGUQBJTC-UHFFFAOYSA-N
Mol Weight 296.23 g/mol
Molecular Formula C13H14BrNS
Exact Mass 295.003034 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQEbnJg9Yps
Name 2-bromo-4-(butylthio)quinoline
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14BrNS
InChI InChI=1S/C13H14BrNS/c1-2-3-8-16-12-9-13(14)15-11-7-5-4-6-10(11)12/h4-7,9H,2-3,8H2,1H3
InChIKey ZOUZOUVGUQBJTC-UHFFFAOYSA-N
Instrument Name Finnigan Mat 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.202012496
Molecular Weight 296.226 g/mol
Reported Formula C13H14BrNS
SMILES c1c(c2c(nc1Br)cccc2)SCCCC
SPLASH splash10-0pvu-0290000000-4ca66637562e245a4994
Source of Spectrum ACI-60-SM36-13g
Thin-Layer Chromatography Rf = 0.15 (isohexane)
Wiley ID 1880444