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Sulfoximine, N-[(4-methylphenyl)sulfonyl]-S-phenyl-S-(2-phenylethenyl-1-d)-, (E)-(.+-.)-
SpectraBase Compound ID CHHKq1DRgl1
InChI InChI=1S/C21H19NO3S2/c1-18-12-14-21(15-13-18)27(24,25)22-26(23,20-10-6-3-7-11-20)17-16-19-8-4-2-5-9-19/h2-17H,1H3/b17-16+/i17D
InChIKey OOEQECUIQKXHKV-REXSEDOFSA-N
Mol Weight 398.51 g/mol
Molecular Formula C21H182DNO3S2
Exact Mass 398.086913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DGoS01W5frw
Name Sulfoximine, N-[(4-methylphenyl)sulfonyl]-S-phenyl-S-(2-phenylethenyl-1-d)-, (E)-(.+-.)-
CAS Registry Number 114663-02-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18DNO3S2
InChI InChI=1S/C21H19NO3S2/c1-18-12-14-21(15-13-18)27(24,25)22-26(23,20-10-6-3-7-11-20)17-16-19-8-4-2-5-9-19/h2-17H,1H3/b17-16+/i17D
InChIKey OOEQECUIQKXHKV-REXSEDOFSA-N
Molecular Weight 398.513 g/mol
SMILES c1(S(N=S(\C(=C\c2ccccc2)[2D])(=O)c2ccccc2)(=O)=O)ccc(cc1)C
SPLASH splash10-002u-9811000000-c600de7c68f4286da31f
Source of Spectrum H-70-1047-1
Synonyms (+-)-S-Phenyl-S-[(E)-2-phenyl[1-d]ethenyl]-N-[(p-tolyl)sulfonyl]sulfoximide
Wiley ID 1367935