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(2E,4E)-6-tert-butoxy-6-thioxo-hexa-2,4-dienoic acid ethyl ester
SpectraBase Compound ID HFm7UGjGByO
InChI InChI=1S/C12H18O3S/c1-5-14-10(13)8-6-7-9-11(16)15-12(2,3)4/h6-9H,5H2,1-4H3/b8-6+,9-7+
InChIKey QKKAQQJGGUJNAR-CDJQDVQCSA-N
Mol Weight 242.33 g/mol
Molecular Formula C12H18O3S
Exact Mass 242.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DclBczte0V3
Name (2E,4E)-6-tert-butoxy-6-thioxo-hexa-2,4-dienoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3S
InChI InChI=1S/C12H18O3S/c1-5-14-10(13)8-6-7-9-11(16)15-12(2,3)4/h6-9H,5H2,1-4H3/b8-6+,9-7+
InChIKey QKKAQQJGGUJNAR-CDJQDVQCSA-N
Molecular Weight 242.333 g/mol
SMILES C(=S)(OC(C)(C)C)\C=C\C=C\C(=O)OCC
SPLASH splash10-0a4i-9310000000-39cd983481f3c551d1b5
Source of Spectrum F-54-15506-9
Synonyms (2E,4E)-6-[(2-methylpropan-2-yl)oxy]-6-sulfanylidenehexa-2,4-dienoic acid ethyl ester Ethyl (2E,4E)-6-tert-butoxy-6-thioxo-hexa-2,4-dienoate Ethyl (2E,4E)-6-[(2-methylpropan-2-yl)oxy]-6-sulfanylidene-hexa-2,4-dienoate
Wiley ID 809919