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(2E,6E)-2,6-bis[(5-bromo-2-thienyl)methylene]cyclohexanone

View entire compound with spectra: 2 NMR

(2E,6E)-2,6-bis[(5-bromo-2-thienyl)methylene]cyclohexanone
SpectraBase Compound ID GvelbPl7F7h
InChI InChI=1S/C16H12Br2OS2/c17-14-6-4-12(20-14)8-10-2-1-3-11(16(10)19)9-13-5-7-15(18)21-13/h4-9H,1-3H2/b10-8+,11-9+
InChIKey TVEAESGOBIRZPF-GFULKKFKSA-N
Mol Weight 444.2 g/mol
Molecular Formula C16H12Br2OS2
Exact Mass 441.869633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Y9IhrGruTI
Name (2E,6E)-2,6-bis[(5-Bromo-2-thienyl)methylene]cyclohexanone
Comments Computed using HOSE algorithm
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Exact Mass 441.869633353 u
Formula C16H12Br2OS2
InChI InChI=1S/C16H12Br2OS2/c17-14-6-4-12(20-14)8-10-2-1-3-11(16(10)19)9-13-5-7-15(18)21-13/h4-9H,1-3H2/b10-8+,11-9+
InChIKey TVEAESGOBIRZPF-GFULKKFKSA-N
Molecular Weight 444.199 g/mol
SMILES C1(\C(CCC\C1=C\C=1SC(Br)=CC1)=C\C=1SC(Br)=CC1)=O