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3,4-Bis(5-bromo-2-methylthiophen-3-yl)furan-2,5-dione
SpectraBase Compound ID 2pcCjI20UCq
InChI InChI=1S/C14H8Br2O3S2/c1-5-7(3-9(15)20-5)11-12(14(18)19-13(11)17)8-4-10(16)21-6(8)2/h3-4H,1-2H3
InChIKey PBUVMFUHKBTAAB-UHFFFAOYSA-N
Mol Weight 448.14 g/mol
Molecular Formula C14H8Br2O3S2
Exact Mass 445.828162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3gHvGme41Bm
Name 3,4-Bis(5-bromo-2-methylthiophen-3-yl)furan-2,5-dione
Appearance Yellow solid
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Exact Mass 445.828162463 u
Formula C14H8Br2O3S2
InChI InChI=1S/C14H8Br2O3S2/c1-5-7(3-9(15)20-5)11-12(14(18)19-13(11)17)8-4-10(16)21-6(8)2/h3-4H,1-2H3
InChIKey PBUVMFUHKBTAAB-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800101
Molecular Weight 448.143 g/mol
Reported Formula (12)C14(1)H8(79)Br2(16)O3(32)S2
SMILES C1(Br)=CC(=C(S1)C)C=1C(OC(C1C=1C=C(Br)SC1C)=O)=O
SPLASH splash10-0002-0011900000-41a6632483fc85d29eb1
Source of Spectrum K1-2018-2600-19 (DOI: 10.1002/ejoc.201800101)
Wiley ID 1894037