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3,4-Bis(5-bromo-2-methylthiophen-3-yl)-1H-pyrrol-2,5-dione
SpectraBase Compound ID JlcXYelgb4h
InChI InChI=1S/C14H9Br2NO2S2/c1-5-7(3-9(15)20-5)11-12(14(19)17-13(11)18)8-4-10(16)21-6(8)2/h3-4H,1-2H3,(H,17,18,19)
InChIKey VCAVSLAHCMIOQA-UHFFFAOYSA-N
Mol Weight 447.16 g/mol
Molecular Formula C14H9Br2NO2S2
Exact Mass 444.844147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LV5uaso4D7R
Name 3,4-Bis(5-bromo-2-methylthiophen-3-yl)-1H-pyrrol-2,5-dione
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.844146880 u
Formula C14H9Br2NO2S2
InChI InChI=1S/C14H9Br2NO2S2/c1-5-7(3-9(15)20-5)11-12(14(19)17-13(11)18)8-4-10(16)21-6(8)2/h3-4H,1-2H3,(H,17,18,19)
InChIKey VCAVSLAHCMIOQA-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800101
Molecular Weight 447.159 g/mol
Reported Formula (12)C14(1)H9(79)Br2(14)N(16)O2(32)S2
SMILES N1C(C(=C(C1=O)C=1C=C(Br)SC1C)C1=C(SC(=C1)Br)C)=O
SPLASH splash10-00kk-0075900000-ab213b72cb7412312508
Source of Spectrum K1-2018-2600-17 (DOI: 10.1002/ejoc.201800101)
Thin-Layer Chromatography 0.35 (cyclohexane/ethyl acetate, 2:1)
Wiley ID 1894036