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Sulfoximine, S-(2-methoxyphenyl)-S-(4-methylphenyl)-N-[(4-methylphenyl)sulfonyl]-, (S)-
SpectraBase Compound ID S6vuOnm4dK
InChI InChI=1S/C21H21NO4S2/c1-16-8-12-18(13-9-16)27(23,21-7-5-4-6-20(21)26-3)22-28(24,25)19-14-10-17(2)11-15-19/h4-15H,1-3H3/t27-/m0/s1
InChIKey GBTOVOOMPIZDQD-MHZLTWQESA-N
Mol Weight 415.52 g/mol
Molecular Formula C21H21NO4S2
Exact Mass 415.091201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8r9qmPd8FIK
Name Sulfoximine, S-(2-methoxyphenyl)-S-(4-methylphenyl)-N-[(4-methylphenyl)sulfonyl]-, (S)-
Alternate Name(s) (S)-(+)-S-O-methoxyphenyl-S-p-tolyl-N-p-toluenesulfonylsulfoximine N-[(2-methoxyphenyl)(4-methylphenyl)oxido-lambda(4)-sulfanylidene]-4-methylbenzenesulfonamide
CAS Registry Number 109417-57-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO4S2
InChI InChI=1S/C21H21NO4S2/c1-16-8-12-18(13-9-16)27(23,21-7-5-4-6-20(21)26-3)22-28(24,25)19-14-10-17(2)11-15-19/h4-15H,1-3H3/t27-/m0/s1
InChIKey GBTOVOOMPIZDQD-MHZLTWQESA-N
Molecular Weight 415.522 g/mol
SMILES c1(S(N=[S@@](c2c(OC)cccc2)(c2ccc(cc2)C)=O)(=O)=O)ccc(cc1)C
SPLASH splash10-052r-0910000000-4947fe01299946662863
Source of Spectrum B-39-1837-12
Wiley ID 1375931