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1-(2H-1,3-benzodioxol-5-yl)-2-[(7-chloroquinolin-4-yl)sulfanyl]ethan-1-one
SpectraBase Compound ID LASiWhS7P94
InChI InChI=1S/C18H12ClNO3S/c19-12-2-3-13-14(8-12)20-6-5-18(13)24-9-15(21)11-1-4-16-17(7-11)23-10-22-16/h1-8H,9-10H2
InChIKey ABVASAOUHJUXDM-UHFFFAOYSA-N
Mol Weight 357.81 g/mol
Molecular Formula C18H12ClNO3S
Exact Mass 357.022642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 87s7L7fVtor
Name 1-(2H-1,3-benzodioxol-5-yl)-2-[(7-chloroquinolin-4-yl)sulfanyl]ethan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12ClNO3S
InChI InChI=1S/C18H12ClNO3S/c19-12-2-3-13-14(8-12)20-6-5-18(13)24-9-15(21)11-1-4-16-17(7-11)23-10-22-16/h1-8H,9-10H2
InChIKey ABVASAOUHJUXDM-UHFFFAOYSA-N
Molecular Weight 357.811 g/mol
SMILES c1c(cc2c(c1)c(SCC(=O)c1ccc3c(c1)OCO3)ccn2)Cl
SPLASH splash10-0002-4900000000-af39b55b1169472d7a8e
Source of Spectrum IY-2-5111-1
Synonyms 1-Ethanone, 1-(1,3-benzodioxol-5-yl)-2-[(7-chloro-4-quinolinyl)thio]- 1-(1,3-benzodioxol-5-yl)-2-[(7-chloro-4-quinolinyl)thio]ethanone 1-(1,3-benzodioxol-5-yl)-2-(7-chloroquinolin-4-yl)sulfanylethanone 1-(1,3-benzodioxol-5-yl)-2-[(7-chloro-4-quinolyl)sulfanyl]ethanone 1-(1,3-benzodioxol-5-yl)-2-(7-chloranylquinolin-4-yl)sulfanyl-ethanone
Wiley ID 1659094