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N-(3-Phenylprop-2-yn-1-yl)-S-(4-chlorophenyl)-S-methyl sulfoximine
SpectraBase Compound ID 2aX60RIatQO
InChI InChI=1S/C16H14ClNOS/c1-20(19,16-11-9-15(17)10-12-16)18-13-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-12H,13H2,1H3
InChIKey ZNXNJKUSORYWDX-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 4nbKeMwSvSk
Name N-(3-Phenylprop-2-yn-1-yl)-S-(4-chlorophenyl)-S-methyl sulfoximine
Appearance Yellow oil
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Exact Mass 303.048462948 u
Formula C16H14ClNOS
InChI InChI=1S/C16H14ClNOS/c1-20(19,16-11-9-15(17)10-12-16)18-13-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-12H,13H2,1H3
InChIKey ZNXNJKUSORYWDX-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201700953
Quality 52
Reported Formula C16H14ClNOS
SMILES C1(S(=NCC#CC2=CC=CC=C2)(C)=O)=CC=C(C=C1)Cl
SPLASH splash10-0v00-1900000000-e65986dcc6a5f9cf7b10
Source of Spectrum QE-23-SM3-4c (DOI: 10.1002/chem.201700953)
Wiley ID 1905748