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2,5-Bis[4-(2-thienyl)-1,4-butadionyl]thiophene

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2,5-Bis[4-(2-thienyl)-1,4-butadionyl]thiophene
SpectraBase Compound ID EZgHaqKURyK
InChI InChI=1S/C20H16O4S3/c21-13(17-3-1-11-25-17)5-7-15(23)19-9-10-20(27-19)16(24)8-6-14(22)18-4-2-12-26-18/h1-4,9-12H,5-8H2
InChIKey HZIWAVNCNBXWIJ-UHFFFAOYSA-N
Mol Weight 416.52 g/mol
Molecular Formula C20H16O4S3
Exact Mass 416.021073 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JjcSEqXv921
Name 2,5-bis[4-(2-Thienyl)-1,4-butadionyl]thiophene
Comments Computed using HOSE algorithm
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Exact Mass 416.021072513 u
Formula C20H16O4S3
InChI InChI=1S/C20H16O4S3/c21-13(17-3-1-11-25-17)5-7-15(23)19-9-10-20(27-19)16(24)8-6-14(22)18-4-2-12-26-18/h1-4,9-12H,5-8H2
InChIKey HZIWAVNCNBXWIJ-UHFFFAOYSA-N
Molecular Weight 416.524 g/mol
SMILES C=1(SC(=CC1)C(CCC(C=1SC=CC1)=O)=O)C(CCC(C=1SC=CC1)=O)=O