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N-[1-(4-Methoxyphenyl)butyl]-S,S-methylphenylsulfoximine
SpectraBase Compound ID 1Ci5jkZmalF
InChI InChI=1S/C18H23NO2S/c1-4-8-18(15-11-13-16(21-2)14-12-15)19-22(3,20)17-9-6-5-7-10-17/h5-7,9-14,18H,4,8H2,1-3H3
InChIKey XHDFRBCCMLCAOH-UHFFFAOYSA-N
Mol Weight 317.45 g/mol
Molecular Formula C18H23NO2S
Exact Mass 317.14495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xW7Nat5SD2
Name N-[1-(4-Methoxyphenyl)butyl]-S,S-methylphenylsulfoximine
Appearance Yellow viscous oil
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Exact Mass 317.144950157 u
Formula C18H23NO2S
InChI InChI=1S/C18H23NO2S/c1-4-8-18(15-11-13-16(21-2)14-12-15)19-22(3,20)17-9-6-5-7-10-17/h5-7,9-14,18H,4,8H2,1-3H3
InChIKey XHDFRBCCMLCAOH-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201801660
Molecular Weight 317.447 g/mol
Quality 85
Reported Formula C18H23NO2S
SMILES C=1C(OC)=CC=C(C(CCC)N=S(C=2C=CC=CC2)(=O)C)C1
SPLASH splash10-00di-0390000000-39780acf54f782994e3a
Sample Comments dr = 1:1
Source of Spectrum ACI-57-SM6-3n (DOI: 10.1002/anie.201801660)
Wiley ID 1890886