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N-[1-(3,4-Dimethoxyphenyl)ethyl]-S,S-methylphenylsulfoximine
SpectraBase Compound ID LfIliqlP1f
InChI InChI=1S/C17H21NO3S/c1-13(14-10-11-16(20-2)17(12-14)21-3)18-22(4,19)15-8-6-5-7-9-15/h5-13H,1-4H3
InChIKey JDAXCMINDMNFAA-UHFFFAOYSA-N
Mol Weight 319.42 g/mol
Molecular Formula C17H21NO3S
Exact Mass 319.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zP3jFWx0hk
Name N-[1-(3,4-Dimethoxyphenyl)ethyl]-S,S-methylphenylsulfoximine
Appearance Viscous oil
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Exact Mass 319.124214711 u
Formula C17H21NO3S
InChI InChI=1S/C17H21NO3S/c1-13(14-10-11-16(20-2)17(12-14)21-3)18-22(4,19)15-8-6-5-7-9-15/h5-13H,1-4H3
InChIKey JDAXCMINDMNFAA-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201801660
Molecular Weight 319.419 g/mol
Quality 168
Reported Formula C17H21NO3S
SMILES C=1(C(=CC=C(C(C)N=S(C=2C=CC=CC2)(=O)C)C1)OC)OC
SPLASH splash10-0uxr-0209000000-f214e6c7e9414a5eb303
Sample Comments dr = 1:1
Source of Spectrum ACI-57-SM9-3w (DOI: 10.1002/anie.201801660)
Wiley ID 1890895