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N-[3-(4-Chlorophenyl)prop-2-yn-1-yl]-S,S-methylphenyl sulfoximine
SpectraBase Compound ID Gj3dngWv5te
InChI InChI=1S/C16H14ClNOS/c1-20(19,16-7-3-2-4-8-16)18-13-5-6-14-9-11-15(17)12-10-14/h2-4,7-12H,13H2,1H3
InChIKey DYDAOTDHVRRSKO-UHFFFAOYSA-N
Mol Weight 303.81 g/mol
Molecular Formula C16H14ClNOS
Exact Mass 303.048463 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BtaCM2JSZg3
Name N-[3-(4-Chlorophenyl)prop-2-yn-1-yl]-S,S-methylphenyl sulfoximine
Appearance Yellow oil
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Exact Mass 303.048462948 u
Formula C16H14ClNOS
InChI InChI=1S/C16H14ClNOS/c1-20(19,16-7-3-2-4-8-16)18-13-5-6-14-9-11-15(17)12-10-14/h2-4,7-12H,13H2,1H3
InChIKey DYDAOTDHVRRSKO-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201700953
Quality 193
Reported Formula C16H14ClNOS
SMILES C1(S(=NCC#CC2=CC=C(C=C2)Cl)(C)=O)=CC=CC=C1
SPLASH splash10-00b9-2920000000-28ba27d274fbdccd5e9a
Source of Spectrum QE-23-SM5-4m (DOI: 10.1002/chem.201700953)
Wiley ID 1905758