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N-[3-(4-Chlorophenyl)propioloyl]-S,S-methylphenyl sulfoximine
SpectraBase Compound ID 1KlTAc06C4E
InChI InChI=1S/C16H12ClNO2S/c1-21(20,15-5-3-2-4-6-15)18-16(19)12-9-13-7-10-14(17)11-8-13/h2-8,10-11H,1H3
InChIKey NIJVMWZHIZKRBD-UHFFFAOYSA-N
Mol Weight 317.79 g/mol
Molecular Formula C16H12ClNO2S
Exact Mass 317.027728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HAvJ9BSOfj
Name N-[3-(4-Chlorophenyl)propioloyl]-S,S-methylphenyl sulfoximine
Appearance Yellow oil
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Exact Mass 317.027727502 u
Formula C16H12ClNO2S
InChI InChI=1S/C16H12ClNO2S/c1-21(20,15-5-3-2-4-6-15)18-16(19)12-9-13-7-10-14(17)11-8-13/h2-8,10-11H,1H3
InChIKey NIJVMWZHIZKRBD-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201700953
Molecular Weight 317.790 g/mol
Quality 273
Reported Formula C16H12ClNO2S
SMILES C1(S(=NC(C#CC2=CC=C(C=C2)Cl)=O)(C)=O)=CC=CC=C1
SPLASH splash10-000x-6911000000-e283052657a5096a1c98
Source of Spectrum QE-23-SM8-5a (DOI: 10.1002/chem.201700953)
Wiley ID 1905770