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4-(Benzoylmethylthio)quinoline
SpectraBase Compound ID 84ZFJb7qxJb
InChI InChI=1S/C17H13NOS/c19-16(13-6-2-1-3-7-13)12-20-17-10-11-18-15-9-5-4-8-14(15)17/h1-11H,12H2
InChIKey RYJQUXKALOVEOT-UHFFFAOYSA-N
Mol Weight 279.36 g/mol
Molecular Formula C17H13NOS
Exact Mass 279.071785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7tzW4l21VwZ
Name 4-(Benzoylmethylthio)quinoline
Comments Removed - expert review: contamination (DOP)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13NOS
InChI InChI=1S/C17H13NOS/c19-16(13-6-2-1-3-7-13)12-20-17-10-11-18-15-9-5-4-8-14(15)17/h1-11H,12H2
InChIKey RYJQUXKALOVEOT-UHFFFAOYSA-N
Molecular Weight 279.357 g/mol
SMILES c12c(SCC(=O)c3ccccc3)ccnc1cccc2
SPLASH splash10-00kb-5920000000-fd6b2053501c839683f7
Source of Spectrum SO-0-58-7
Synonyms 1-phenyl-2-(4-quinolinylsulfanyl)ethanone
Wiley ID 872887