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4-(benzenesulfonylmethyl)-3,4-dihydronaphthalene-1-carbonitrile
SpectraBase Compound ID F8a8eoLbBER
InChI InChI=1S/C18H15NO2S/c19-12-14-10-11-15(18-9-5-4-8-17(14)18)13-22(20,21)16-6-2-1-3-7-16/h1-10,15H,11,13H2
InChIKey KWZNJDIVXNKTCY-UHFFFAOYSA-N
Mol Weight 309.38 g/mol
Molecular Formula C18H15NO2S
Exact Mass 309.08235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HaIqCtpuaGI
Name 4-(benzenesulfonylmethyl)-3,4-dihydronaphthalene-1-carbonitrile
Appearance Colorless oil
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Formula C18H15NO2S
InChI InChI=1S/C18H15NO2S/c19-12-14-10-11-15(18-9-5-4-8-17(14)18)13-22(20,21)16-6-2-1-3-7-16/h1-10,15H,11,13H2
InChIKey KWZNJDIVXNKTCY-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202201153
Molecular Weight 309.383 g/mol
Quality 17
Reported Formula C18H15NO2S
SMILES C1=CC2=C(C=C1)C(CC=C2C#N)CS(C1=CC=CC=C1)(=O)=O
SPLASH splash10-0uxr-0900000000-f2f5e2c4b7e9de16ce08
Source of Spectrum QE-28-SM42-6a (DOI: 10.1002/chem.202201153)
Wiley ID 1900590