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7,7-Bis(methylthio)-1-(2-thienyl)-2,4,6-heptatriien-1-one

View entire compound with spectra: 1 MS (GC)

7,7-Bis(methylthio)-1-(2-thienyl)-2,4,6-heptatriien-1-one
SpectraBase Compound ID BuruxEmMNhb
InChI InChI=1S/C13H14OS3/c1-15-13(16-2)9-5-3-4-7-11(14)12-8-6-10-17-12/h3-10H,1-2H3/b5-3+,7-4+
InChIKey IFHJSTQHMCCBFD-HJIKTHEYSA-N
Mol Weight 282.43 g/mol
Molecular Formula C13H14OS3
Exact Mass 282.020679 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Di88zeCTcXN
Name 7,7-Bis(methylthio)-1-(2-thienyl)-2,4,6-heptatriien-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C13H14OS3
InChI InChI=1S/C13H14OS3/c1-15-13(16-2)9-5-3-4-7-11(14)12-8-6-10-17-12/h3-10H,1-2H3/b5-3+,7-4+
InChIKey IFHJSTQHMCCBFD-HJIKTHEYSA-N
Molecular Weight 282.434 g/mol
SMILES c1(sccc1)C(\C=C\C=C\C=C(SC)SC)=O
SPLASH splash10-0159-0090000000-fbf4a5bedc72ec551a22
Source of Spectrum Y1-40-943-5
Wiley ID 1564878