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Methyl 2-[2-chloro-7-(methylthio)quinolin-3-yl]-2-methylpropanoate
SpectraBase Compound ID 8Sp1oQb5tj0
InChI InChI=1S/C15H16ClNO2S/c1-15(2,14(18)19-3)11-7-9-5-6-10(20-4)8-12(9)17-13(11)16/h5-8H,1-4H3
InChIKey GROITYZRUYDTQN-UHFFFAOYSA-N
Mol Weight 309.81 g/mol
Molecular Formula C15H16ClNO2S
Exact Mass 309.059028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8VFRE2dRNGM
Name Methyl 2-[2-chloro-7-(methylthio)quinolin-3-yl]-2-methylpropanoate
Appearance Colorless solid
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Formula C15H16ClNO2S
InChI InChI=1S/C15H16ClNO2S/c1-15(2,14(18)19-3)11-7-9-5-6-10(20-4)8-12(9)17-13(11)16/h5-8H,1-4H3
InChIKey GROITYZRUYDTQN-UHFFFAOYSA-N
Instrument Name HP 6890 Series
Ionization Type EI
Literature Reference DOI 10.1002/anie.201814193
Molecular Weight 309.811 g/mol
Reported Formula C15H16ClNO2S
SMILES COC(=O)C(C)(C)c1cc2ccc(SC)cc2nc1Cl
SPLASH splash10-114j-0393000000-fa1d324eecde4f6facde
Source of Spectrum ACI-58-SM17-S11
Thin-Layer Chromatography Rf = 0.58 (Cy/EtOAc, 2:1)
Wiley ID 1843112