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4-Phenylsulfoxoocta-4,6-dienoic acid ethyl ester
SpectraBase Compound ID 8U5W9JEb0Et
InChI InChI=1S/C16H20O3S/c1-3-5-9-15(12-13-16(17)19-4-2)20(18)14-10-7-6-8-11-14/h3,5-11H,4,12-13H2,1-2H3/b5-3+,15-9-
InChIKey DCHMDRGJJBCCAG-MBQHOLPSSA-N
Mol Weight 292.39 g/mol
Molecular Formula C16H20O3S
Exact Mass 292.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5NS3q65JL6y
Name 4-Phenylsulfoxoocta-4,6-dienoic acid ethyl ester
Alternate Name(s) Ethyl (4Z,6E)-4-(phenylsulfinyl)-4,6-octadienoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O3S
InChI InChI=1S/C16H20O3S/c1-3-5-9-15(12-13-16(17)19-4-2)20(18)14-10-7-6-8-11-14/h3,5-11H,4,12-13H2,1-2H3/b5-3+,15-9-
InChIKey DCHMDRGJJBCCAG-MBQHOLPSSA-N
Molecular Weight 292.393 g/mol
SMILES C\C=C\C=C\(S(=O)c1ccccc1)CCC(=O)OCC
SPLASH splash10-002b-9100000000-e9a8220bbae05cc6943d
Source of Spectrum AJ-61-3963-11
Wiley ID 1295347