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N-(2-benzoyl-5-bromo-4,6-dimethylthieno[2,3-b]pyridin-3-yl)-2-chloroacetamide
SpectraBase Compound ID 34njZiJZ8kj
InChI InChI=1S/C18H14BrClN2O2S/c1-9-13-15(22-12(23)8-20)17(16(24)11-6-4-3-5-7-11)25-18(13)21-10(2)14(9)19/h3-7H,8H2,1-2H3,(H,22,23)
InChIKey PPVUQUBJLBXFTB-UHFFFAOYSA-N
Mol Weight 437.74 g/mol
Molecular Formula C18H14BrClN2O2S
Exact Mass 435.96479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dyh6hfXhcDp
Name N-(2-benzoyl-5-bromo-4,6-dimethylthieno[2,3-b]pyridin-3-yl)-2-chloroacetamide
Appearance Colorless crystals
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Formula C18H14BrClN2O2S
InChI InChI=1S/C18H14BrClN2O2S/c1-9-13-15(22-12(23)8-20)17(16(24)11-6-4-3-5-7-11)25-18(13)21-10(2)14(9)19/h3-7H,8H2,1-2H3,(H,22,23)
InChIKey PPVUQUBJLBXFTB-UHFFFAOYSA-N
Instrument Name Kratos MS-30
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2936
Molecular Weight 437.739 g/mol
SMILES N(c1c(C(c2ccccc2)=O)sc2c1c(c(c(n2)C)Br)C)C(CCl)=O
SPLASH splash10-052r-2309400000-a41487f4439bce2dc006
Source of Spectrum Y-54-3205-1c
Wiley ID 1878628