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2-[2-Chloro-7-(methylsulfonyl)quinolin-3-yl]-2-methylpropan-1-ol
SpectraBase Compound ID LAAbyetn3VD
InChI InChI=1S/C14H16ClNO3S/c1-14(2,8-17)11-6-9-4-5-10(20(3,18)19)7-12(9)16-13(11)15/h4-7,17H,8H2,1-3H3
InChIKey ZLYNKMDKQCGPQJ-UHFFFAOYSA-N
Mol Weight 313.8 g/mol
Molecular Formula C14H16ClNO3S
Exact Mass 313.053942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4RFhWgtU2qZ
Name 2-[2-Chloro-7-(methylsulfonyl)quinolin-3-yl]-2-methylpropan-1-ol
Appearance Colorless solid
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Formula C14H16ClNO3S
InChI InChI=1S/C14H16ClNO3S/c1-14(2,8-17)11-6-9-4-5-10(20(3,18)19)7-12(9)16-13(11)15/h4-7,17H,8H2,1-3H3
InChIKey ZLYNKMDKQCGPQJ-UHFFFAOYSA-N
Instrument Name HP 6890 Series
Ionization Type EI
Literature Reference DOI 10.1002/anie.201814193
Molecular Weight 313.799 g/mol
Reported Formula C14H16ClNO3S
SMILES OCC(c1c(Cl)nc2cc(ccc2c1)S(C)(=O)=O)(C)C
SPLASH splash10-001i-0930000000-e34649f1a3b5a8d8f0ed
Source of Spectrum ACI-58-SM22-S16
Thin-Layer Chromatography Rf = 0.53 (EtOAc)
Wiley ID 1843116