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N-[(4-Methoxyphenyl)(cyano)methyl]-S,S-methylphenylsulfoximine
SpectraBase Compound ID D4wWcio5miD
InChI InChI=1S/C16H16N2O2S/c1-20-14-10-8-13(9-11-14)16(12-17)18-21(2,19)15-6-4-3-5-7-15/h3-11,16H,1-2H3
InChIKey VWYZOLFFVIAYIW-UHFFFAOYSA-N
Mol Weight 300.38 g/mol
Molecular Formula C16H16N2O2S
Exact Mass 300.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JtxmiiyyfDV
Name N-[(4-Methoxyphenyl)(cyano)methyl]-S,S-methylphenylsulfoximine
Appearance Yellow viscous oil
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Exact Mass 300.093248935 u
Formula C16H16N2O2S
InChI InChI=1S/C16H16N2O2S/c1-20-14-10-8-13(9-11-14)16(12-17)18-21(2,19)15-6-4-3-5-7-15/h3-11,16H,1-2H3
InChIKey VWYZOLFFVIAYIW-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201801660
Molecular Weight 300.376 g/mol
Quality 335
Reported Formula C16H16N2O2S
SMILES C=1(C(C#N)N=S(C=2C=CC=CC2)(=O)C)C=CC(=CC1)OC
SPLASH splash10-01r7-0921000000-2a13797bb014a7d9536e
Sample Comments dr = 1:1
Source of Spectrum ACI-57-SM10-4a (DOI: 10.1002/anie.201801660)
Wiley ID 1890898