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2,3,6-Trimethyl-4-phenyl-1-tosyl-1,2-dihydroquinoline
SpectraBase Compound ID 57Xhu1sHCGw
InChI InChI=1S/C25H25NO2S/c1-17-10-13-22(14-11-17)29(27,28)26-20(4)19(3)25(21-8-6-5-7-9-21)23-16-18(2)12-15-24(23)26/h5-16,20H,1-4H3
InChIKey CAEDPXIJOZUNOT-UHFFFAOYSA-N
Mol Weight 403.54 g/mol
Molecular Formula C25H25NO2S
Exact Mass 403.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LncbKSfnR6h
Name 2,3,6-Trimethyl-4-phenyl-1-tosyl-1,2-dihydroquinoline
Appearance White solid
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Formula C25H25NO2S
InChI InChI=1S/C25H25NO2S/c1-17-10-13-22(14-11-17)29(27,28)26-20(4)19(3)25(21-8-6-5-7-9-21)23-16-18(2)12-15-24(23)26/h5-16,20H,1-4H3
InChIKey CAEDPXIJOZUNOT-UHFFFAOYSA-N
Instrument Name Finnigan SSQ
Ionization Type EI
Literature Reference DOI 10.1002/chem.201701255
Molecular Weight 403.540 g/mol
Reported Formula C25H25NO2S
SMILES C1(=CC2=C(C=C1)N(C(C(=C2C1=CC=CC=C1)C)C)S(C1=CC=C(C=C1)C)(=O)=O)C
SPLASH splash10-000i-0009000000-3eab963e435f3bf5f446
Source of Spectrum QE-23-SM12-3k (DOI: 10.1002/chem.201701255)
Thin-Layer Chromatography 0.35 (Hex/EtOAc, 10:1)
Wiley ID 1905782