Debug Info

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_id
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i93bzvk2a
spectrumID
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i93bzvk2a
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specType
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Mass Spectrum (GC)
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2-Chloro-3-(2-methylbut-3-en-2-yl)-7-(methylthio)quinoline
SpectraBase Compound ID 92thSA7PZtk
InChI InChI=1S/C15H16ClNS/c1-5-15(2,3)12-8-10-6-7-11(18-4)9-13(10)17-14(12)16/h5-9H,1H2,2-4H3
InChIKey CYDWWJWNPXLZQN-UHFFFAOYSA-N
Mol Weight 277.81 g/mol
Molecular Formula C15H16ClNS
Exact Mass 277.069198 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID i93bzvk2a
Name 2-Chloro-3-(2-methylbut-3-en-2-yl)-7-(methylthio)quinoline
Appearance Colorless highly viscous oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16ClNS
InChI InChI=1S/C15H16ClNS/c1-5-15(2,3)12-8-10-6-7-11(18-4)9-13(10)17-14(12)16/h5-9H,1H2,2-4H3
InChIKey CYDWWJWNPXLZQN-UHFFFAOYSA-N
Instrument Name HP 6890 Series
Ionization Type EI
Literature Reference DOI 10.1002/anie.201814193
Reported Formula C15H16ClNS
SMILES c1(Cl)c(C(C)(C)C=C)cc2ccc(SC)cc2n1
SPLASH splash10-01t9-0090000000-1956fc0d0a5d07462ecf
Source of Spectrum ACI-58-SM29-S25
Thin-Layer Chromatography Rf = 0.23 (Pn/Et2O, 95:5)
Wiley ID 1843125
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