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N-[1-(4-Methoxyphenyl)-2-benzoyloxyethyl]-S,S-methylphenylsulfoximine
SpectraBase Compound ID KTOuexYBVxs
InChI InChI=1S/C23H23NO4S/c1-27-20-15-13-18(14-16-20)22(17-28-23(25)19-9-5-3-6-10-19)24-29(2,26)21-11-7-4-8-12-21/h3-16,22H,17H2,1-2H3
InChIKey STGVYELHQFHRII-UHFFFAOYSA-N
Mol Weight 409.5 g/mol
Molecular Formula C23H23NO4S
Exact Mass 409.134779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6y9LVmgTvvR
Name N-[1-(4-Methoxyphenyl)-2-benzoyloxyethyl]-S,S-methylphenylsulfoximine
Appearance Colorless viscous oil
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Exact Mass 409.134779395 u
Formula C23H23NO4S
InChI InChI=1S/C23H23NO4S/c1-27-20-15-13-18(14-16-20)22(17-28-23(25)19-9-5-3-6-10-19)24-29(2,26)21-11-7-4-8-12-21/h3-16,22H,17H2,1-2H3
InChIKey STGVYELHQFHRII-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201801660
Molecular Weight 409.500 g/mol
Quality 76
Reported Formula C23H23NO4S
SMILES C=1C(OC)=CC=C(C(COC(C2=CC=CC=C2)=O)N=S(C=2C=CC=CC2)(=O)C)C1
SPLASH splash10-00fu-2980000000-caad2113c9dc9cbda627
Sample Comments dr = 1:1
Source of Spectrum ACI-57-SM7-3r (DOI: 10.1002/anie.201801660)
Wiley ID 1890890