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1-(4-Quinolinylsulfanyl)acetone
SpectraBase Compound ID g7kNxBzj76
InChI InChI=1S/C12H11NOS/c1-9(14)8-15-12-6-7-13-11-5-3-2-4-10(11)12/h2-7H,8H2,1H3
InChIKey ZZYMQORDKVEKOJ-UHFFFAOYSA-N
Mol Weight 217.29 g/mol
Molecular Formula C12H11NOS
Exact Mass 217.056135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 65Sx4BhgwoI
Name 1-(4-Quinolinylsulfanyl)acetone
Alternate Name(s) 1-(4-quinolinylthio)-2-propanone 1-(4-quinolylsulfanyl)propan-2-one 1-(4-Quinolylthio)acetone 1-quinolin-4-ylsulfanylpropan-2-one
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Formula C12H11NOS
InChI InChI=1S/C12H11NOS/c1-9(14)8-15-12-6-7-13-11-5-3-2-4-10(11)12/h2-7H,8H2,1H3
InChIKey ZZYMQORDKVEKOJ-UHFFFAOYSA-N
Molecular Weight 217.286 g/mol
SMILES c12c(SCC(=O)C)ccnc2cccc1
SPLASH splash10-0006-9420000000-5e34b6b5d6f86d857fad
Source of Spectrum SO-0-58-7
Wiley ID 872888