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(2Z,4E)-Ethyl 4-hexyl-5-p-tolylsulfonyl-2,4-pentadienoate
SpectraBase Compound ID BTQKQoB6Uu0
InChI InChI=1S/C20H28O4S/c1-4-6-7-8-9-18(12-15-20(21)24-5-2)16-25(22,23)19-13-10-17(3)11-14-19/h10-16H,4-9H2,1-3H3/b15-12-,18-16+
InChIKey PZHUMHNMYACKJJ-RZUHJYTCSA-N
Mol Weight 364.5 g/mol
Molecular Formula C20H28O4S
Exact Mass 364.170831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ErgkfUakseL
Name (2Z,4E)-Ethyl 4-hexyl-5-p-tolylsulfonyl-2,4-pentadienoate
Alternate Name(s) ethyl (2Z,4E)-4-hexyl-5-[(4-methylphenyl)sulfonyl]-2,4-pentadienoate
Comments Less than 3 mono-isotopic peaks
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Formula C20H28O4S
InChI InChI=1S/C20H28O4S/c1-4-6-7-8-9-18(12-15-20(21)24-5-2)16-25(22,23)19-13-10-17(3)11-14-19/h10-16H,4-9H2,1-3H3/b15-12-,18-16+
InChIKey PZHUMHNMYACKJJ-RZUHJYTCSA-N
Molecular Weight 364.500 g/mol
SMILES C(\C=C/C(=C/S(c1ccc(cc1)C)(=O)=O)CCCCCC)(=O)OCC
SPLASH splash10-000i-0900000000-a4f638779adefd4516f6
Source of Spectrum F-49-42-4
Wiley ID 1350776