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(E)-N-[2-Phenylvinyl-2-(3-nitro-benzoyloxy)]-S-methyl-S-phenylsulfoximine
SpectraBase Compound ID 1JgGXRPGyYU
InChI InChI=1S/C22H18N2O5S/c1-30(28,20-13-6-3-7-14-20)23-21(15-17-9-4-2-5-10-17)29-22(25)18-11-8-12-19(16-18)24(26)27/h2-16H,1H3/b21-15+
InChIKey XHLFVCAZPOCADU-RCCKNPSSSA-N
Mol Weight 422.46 g/mol
Molecular Formula C22H18N2O5S
Exact Mass 422.093643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uaELlWKOSl
Name (E)-N-[2-Phenylvinyl-2-(3-nitro-benzoyloxy)]-S-methyl-S-phenylsulfoximine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18N2O5S
InChI InChI=1S/C22H18N2O5S/c1-30(28,20-13-6-3-7-14-20)23-21(15-17-9-4-2-5-10-17)29-22(25)18-11-8-12-19(16-18)24(26)27/h2-16H,1H3/b21-15+
InChIKey XHLFVCAZPOCADU-RCCKNPSSSA-N
Literature Reference DOI 10.1021/acs.orglett.5b02477
Molecular Weight 422.455 g/mol
SMILES c1(\C=C/(N=S(C)(c2ccccc2)=O)OC(c2cc(ccc2)[N+](=O)[O-])=O)ccccc1
SPLASH splash10-0gl0-6900000000-394f876d2a2d348817e1
Source of Spectrum A1-17-5008/SM5-6b
Synonyms (E)-1-((methyl(oxo)(phenyl)-lambda6-sulfaneylidene)amino)-2-phenylvinyl 3-nitrobenzoate
Wiley ID 1802529