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N-[1-(4-Methoxyphenyl)-3-methylbutyl]-S,S-methylphenylsulfoximine
SpectraBase Compound ID 5t1qdpPVWb1
InChI InChI=1S/C19H25NO2S/c1-15(2)14-19(16-10-12-17(22-3)13-11-16)20-23(4,21)18-8-6-5-7-9-18/h5-13,15,19H,14H2,1-4H3
InChIKey CGIQDKCODPKHOM-UHFFFAOYSA-N
Mol Weight 331.47 g/mol
Molecular Formula C19H25NO2S
Exact Mass 331.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LALcGUTTRVG
Name N-[1-(4-Methoxyphenyl)-3-methylbutyl]-S,S-methylphenylsulfoximine
Appearance Yellow viscous oil
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Formula C19H25NO2S
InChI InChI=1S/C19H25NO2S/c1-15(2)14-19(16-10-12-17(22-3)13-11-16)20-23(4,21)18-8-6-5-7-9-18/h5-13,15,19H,14H2,1-4H3
InChIKey CGIQDKCODPKHOM-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201801660
Molecular Weight 331.474 g/mol
Quality 116
Reported Formula C19H25NO2S
SMILES C=1C(OC)=CC=C(C(CC(C)C)N=S(C=2C=CC=CC2)(=O)C)C1
SPLASH splash10-00di-0190000000-a42c718ba315830271a3
Sample Comments dr = 1:1
Source of Spectrum ACI-57-SM7-3p (DOI: 10.1002/anie.201801660)
Wiley ID 1890888