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N-[3-(4-Bromophenyl)prop-2-yn-1-yl]-S,S-methylphenyl sulfoximine
SpectraBase Compound ID AA54zDtAibA
InChI InChI=1S/C16H14BrNOS/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 QOCGJVOPCHHUPP-UHFFFAOYSA-N
Mol Weight 348.26 g/mol
Molecular Formula C16H14BrNOS
Exact Mass 346.997948 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HOwzifO3ew9
Name N-[3-(4-Bromophenyl)prop-2-yn-1-yl]-S,S-methylphenyl sulfoximine
Appearance Brown oil
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Exact Mass 346.997948248 u
Formula C16H14BrNOS
InChI InChI=1S/C16H14BrNOS/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 QOCGJVOPCHHUPP-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201700953
Molecular Weight 348.258 g/mol
Quality 104
Reported Formula C16H14BrNOS
SMILES C1(S(=NCC#CC2=CC=C(C=C2)Br)(C)=O)=CC=CC=C1
SPLASH splash10-00xr-0921000000-c5320369da4a8c667c3a
Source of Spectrum QE-23-SM5-4n (DOI: 10.1002/chem.201700953)
Wiley ID 1905759