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N-[1-(4-Methoxyphenyl)-2-acetyloxyethyl]-S,S-methylphenylsulfoximine
SpectraBase Compound ID IoTr87v30bu
InChI InChI=1S/C18H21NO4S/c1-14(20)23-13-18(15-9-11-16(22-2)12-10-15)19-24(3,21)17-7-5-4-6-8-17/h4-12,18H,13H2,1-3H3
InChIKey WBHGYHVLBRLMGV-UHFFFAOYSA-N
Mol Weight 347.43 g/mol
Molecular Formula C18H21NO4S
Exact Mass 347.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9gy9PI4Qtqz
Name N-[1-(4-Methoxyphenyl)-2-acetyloxyethyl]-S,S-methylphenylsulfoximine
Appearance Colorless viscous oil
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Exact Mass 347.119129330 u
Formula C18H21NO4S
InChI InChI=1S/C18H21NO4S/c1-14(20)23-13-18(15-9-11-16(22-2)12-10-15)19-24(3,21)17-7-5-4-6-8-17/h4-12,18H,13H2,1-3H3
InChIKey WBHGYHVLBRLMGV-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201801660
Molecular Weight 347.429 g/mol
Quality 121
Reported Formula C18H21NO4S
SMILES C=1C(OC)=CC=C(C(COC(C)=O)N=S(C=2C=CC=CC2)(=O)C)C1
SPLASH splash10-00di-0290000000-cee0a2524906c9503201
Sample Comments dr = 1:1
Source of Spectrum ACI-57-SM7-3q (DOI: 10.1002/anie.201801660)
Wiley ID 1890889