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3-(2-Methylbut-3-en-2-yl)-7-(methylsulfonyl)quinolin-2(1H)-one
SpectraBase Compound ID 1OSN8qaWsGX
InChI InChI=1S/C15H17NO3S/c1-5-15(2,3)12-8-10-6-7-11(20(4,18)19)9-13(10)16-14(12)17/h5-9H,1H2,2-4H3,(H,16,17)
InChIKey DZBTVVDJCNUDMZ-UHFFFAOYSA-N
Mol Weight 291.36 g/mol
Molecular Formula C15H17NO3S
Exact Mass 291.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1D2CdFsRsW
Name 3-(2-Methylbut-3-en-2-yl)-7-(methylsulfonyl)quinolin-2(1H)-one
Appearance Colorless solid
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Formula C15H17NO3S
InChI InChI=1S/C15H17NO3S/c1-5-15(2,3)12-8-10-6-7-11(20(4,18)19)9-13(10)16-14(12)17/h5-9H,1H2,2-4H3,(H,16,17)
InChIKey DZBTVVDJCNUDMZ-UHFFFAOYSA-N
Instrument Name HP 6890 Series
Ionization Type EI
Literature Reference DOI 10.1002/anie.201814193
Molecular Weight 291.365 g/mol
Reported Formula C15H17NO3S
SMILES N1C(C(=Cc2ccc(cc12)S(=O)(=O)C)C(C)(C)C=C)=O
SPLASH splash10-01r5-0190000000-ad4e6fe0e142f27481b7
Source of Spectrum ACI-58-SM38-5f
Thin-Layer Chromatography Rf = 0.26 (Cy/EtOAc, 1:1)
Wiley ID 1843097