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(2E,4E)-6-(methylthio)-6-oxohexa-2,4-dienoic acid ethyl ester
SpectraBase Compound ID 4NBzz9q9bjP
InChI InChI=1S/C9H12O3S/c1-3-12-8(10)6-4-5-7-9(11)13-2/h4-7H,3H2,1-2H3/b6-4+,7-5+
InChIKey VYBQWGONVVIVJX-YDFGWWAZSA-N
Mol Weight 200.25 g/mol
Molecular Formula C9H12O3S
Exact Mass 200.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D6phwI42suG
Name (2E,4E)-6-(methylthio)-6-oxohexa-2,4-dienoic acid ethyl ester
Alternate Name(s) (2E,4E)-6-keto-6-(methylthio)hexa-2,4-dienoic acid ethyl ester Ethyl (2E,4E)-6-methylsulfanyl-6-oxidanylidene-hexa-2,4-dienoate Ethyl (2E,4E)-6-methylsulfanyl-6-oxo-hexa-2,4-dienoate
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Formula C9H12O3S
InChI InChI=1S/C9H12O3S/c1-3-12-8(10)6-4-5-7-9(11)13-2/h4-7H,3H2,1-2H3/b6-4+,7-5+
InChIKey VYBQWGONVVIVJX-YDFGWWAZSA-N
Molecular Weight 200.252 g/mol
SMILES C(\C=C\C=C\C(=O)OCC)(=O)SC
SPLASH splash10-0udi-0900000000-0eb00e062a3643eb360d
Source of Spectrum F-54-15506-11
Wiley ID 809917