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N-(5-Phenylpent-2-yn-1-yl)-S,S-methylphenyl sulfoximine
SpectraBase Compound ID DZ0mcILm3hw
InChI InChI=1S/C18H19NOS/c1-21(20,18-14-8-3-9-15-18)19-16-10-4-7-13-17-11-5-2-6-12-17/h2-3,5-6,8-9,11-12,14-15H,7,13,16H2,1H3
InChIKey ADYSFKNJGBJERA-UHFFFAOYSA-N
Mol Weight 297.42 g/mol
Molecular Formula C18H19NOS
Exact Mass 297.118735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DYFKsiEI1jo
Name N-(5-Phenylpent-2-yn-1-yl)-S,S-methylphenyl sulfoximine
Appearance Yellow oil
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Exact Mass 297.118735409 u
Formula C18H19NOS
InChI InChI=1S/C18H19NOS/c1-21(20,18-14-8-3-9-15-18)19-16-10-4-7-13-17-11-5-2-6-12-17/h2-3,5-6,8-9,11-12,14-15H,7,13,16H2,1H3
InChIKey ADYSFKNJGBJERA-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201700953
Quality 13
Reported Formula C18H19NOS
SMILES C1(S(=NCC#CCCC2=CC=CC=C2)(C)=O)=CC=CC=C1
SPLASH splash10-0a4i-1590000000-db859aa33eb23ca5e8da
Source of Spectrum QE-23-SM6-4o (DOI: 10.1002/chem.201700953)
Wiley ID 1905760