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N-[3-(p-Tolyl)prop-2-yn-1-yl]-S,S-methylphenyl sulfoximine
SpectraBase Compound ID JAtZxQ41FHU
InChI InChI=1S/C17H17NOS/c1-15-10-12-16(13-11-15)7-6-14-18-20(2,19)17-8-4-3-5-9-17/h3-5,8-13H,14H2,1-2H3
InChIKey BDXPGPUOUFXNDF-UHFFFAOYSA-N
Mol Weight 283.39 g/mol
Molecular Formula C17H17NOS
Exact Mass 283.103085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1gCn3rPxUkP
Name N-[3-(p-Tolyl)prop-2-yn-1-yl]-S,S-methylphenyl sulfoximine
Appearance Yellow oil
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Exact Mass 283.103085344 u
Formula C17H17NOS
InChI InChI=1S/C17H17NOS/c1-15-10-12-16(13-11-15)7-6-14-18-20(2,19)17-8-4-3-5-9-17/h3-5,8-13H,14H2,1-2H3
InChIKey BDXPGPUOUFXNDF-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201700953
Quality 98
Reported Formula C17H17NOS
SMILES C1(S(=NCC#CC2=CC=C(C=C2)C)(C)=O)=CC=CC=C1
SPLASH splash10-00di-3950000000-0da94fd5f246e579a1c8
Source of Spectrum QE-23-SM4-4j (DOI: 10.1002/chem.201700953)
Wiley ID 1905755