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S-[2-[[1-methyl-3-oxo-3-(phenylamino)-1-propenyl]oxy]ethyl]2-[[1-methyl-3-oxo-3-(phenylamino)-1-propenyl]oxy]ethanethiosulfinate
SpectraBase Compound ID 60rGEXq5GHw
InChI InChI=1S/C24H28N2O5S2/c1-19(17-23(27)25-21-9-5-3-6-10-21)30-13-15-32-33(29)16-14-31-20(2)18-24(28)26-22-11-7-4-8-12-22/h3-12,17-18H,13-16H2,1-2H3,(H,25,27)(H,26,28)/b19-17+,20-18+
InChIKey HUPHULXOXQKTCP-XPWSMXQVSA-N
Mol Weight 488.62 g/mol
Molecular Formula C24H28N2O5S2
Exact Mass 488.143964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8saSkmSjXWP
Name S-[2-[[1-methyl-3-oxo-3-(phenylamino)-1-propenyl]oxy]ethyl]2-[[1-methyl-3-oxo-3-(phenylamino)-1-propenyl]oxy]ethanethiosulfinate
CAS Registry Number 102437-86-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H28N2O5S2
InChI InChI=1S/C24H28N2O5S2/c1-19(17-23(27)25-21-9-5-3-6-10-21)30-13-15-32-33(29)16-14-31-20(2)18-24(28)26-22-11-7-4-8-12-22/h3-12,17-18H,13-16H2,1-2H3,(H,25,27)(H,26,28)/b19-17+,20-18+
InChIKey HUPHULXOXQKTCP-XPWSMXQVSA-N
Molecular Weight 488.617 g/mol
SMILES N(C(\C=C/(OCCS(SCCO\C(=C\C(Nc1ccccc1)=O)C)=O)C)=O)c1ccccc1
SPLASH splash10-0006-9410000000-57b656149ac457b9c9a3
Source of Spectrum J-51-2794-10
Synonyms S-(2-{[(1E)-3-anilino-1-methyl-3-oxo-1-propenyl]oxy}ethyl) 2-{[(1E)-3-anilino-1-methyl-3-oxo-1-propenyl]oxy}ethanesulfinothioate
Wiley ID 1396825