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4-(2,6-Dimethyl-4-sulfanyl-3-quinolinyl)-2-butanone
SpectraBase Compound ID VoThFuyTlk
InChI InChI=1S/C15H17NOS/c1-9-4-7-14-13(8-9)15(18)12(11(3)16-14)6-5-10(2)17/h4,7-8H,5-6H2,1-3H3,(H,16,18)
InChIKey WPIXBWCORYNYKV-UHFFFAOYSA-N
Mol Weight 259.37 g/mol
Molecular Formula C15H17NOS
Exact Mass 259.103085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HUfComk7hEH
Name 4-(2,6-Dimethyl-4-sulfanyl-3-quinolinyl)-2-butanone
CAS Registry Number 61640-18-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NOS
InChI InChI=1S/C15H17NOS/c1-9-4-7-14-13(8-9)15(18)12(11(3)16-14)6-5-10(2)17/h4,7-8H,5-6H2,1-3H3,(H,16,18)
InChIKey WPIXBWCORYNYKV-UHFFFAOYSA-N
Molecular Weight 259.367 g/mol
SMILES Sc1c2c(ccc(c2)C)nc(c1CCC(=O)C)C
SPLASH splash10-0zfu-3590000000-f43bf0c0d74ab4a3e8b9
Source of Spectrum AD-0-2532-0
Synonyms 2-Butanone, 4-(2,6-dimethyl-4-mercapto-3-quinolyl)- 4-(2,6-dimethyl-4-sulfanylidene-1H-quinolin-3-yl)-2-butanone 4-(2,6-dimethyl-4-sulfanylidene-1H-quinolin-3-yl)butan-2-one 4-(2,6-dimethyl-4-thioxo-1H-quinolin-3-yl)butan-2-one
Wiley ID 1424389