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(Z)-1-(4-Nitrobenzoyl)-1-(p-tolylsulfonyl)-1-hexene
SpectraBase Compound ID 4EQkJ1JWfdr
InChI InChI=1S/C20H21NO5S/c1-3-4-5-6-19(27(25,26)18-13-7-15(2)8-14-18)20(22)16-9-11-17(12-10-16)21(23)24/h6-14H,3-5H2,1-2H3/b19-6-
InChIKey IIUIUMZVQXJPQE-SWNXQHNESA-N
Mol Weight 387.45 g/mol
Molecular Formula C20H21NO5S
Exact Mass 387.114044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7C3qKoItQt
Name (Z)-1-(4-Nitrobenzoyl)-1-(p-tolylsulfonyl)-1-hexene
Alternate Name(s) (Z)-2-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)-2-hepten-1-one (Z)-1-(4-nitrophenyl)-2-(p-tolylsulfonyl)hept-2-en-1-one (Z)-2-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)hept-2-en-1-one
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Formula C20H21NO5S
InChI InChI=1S/C20H21NO5S/c1-3-4-5-6-19(27(25,26)18-13-7-15(2)8-14-18)20(22)16-9-11-17(12-10-16)21(23)24/h6-14H,3-5H2,1-2H3/b19-6-
InChIKey IIUIUMZVQXJPQE-SWNXQHNESA-N
Molecular Weight 387.450 g/mol
SMILES C(\C(S(c1ccc(C)cc1)(=O)=O)=C\CCCC)(c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-0a4i-1900000000-250fa340db7ed50083d3
Source of Spectrum F-65-6866-4f
Wiley ID 1680326