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Ethyl 2-chloro-4-(thiophene-2-carbonyl)-nicotinate
SpectraBase Compound ID 4LdNEmNQ1mm
InChI InChI=1S/C13H10ClNO3S/c1-2-18-13(17)10-8(5-6-15-12(10)14)11(16)9-4-3-7-19-9/h3-7H,2H2,1H3
InChIKey HFHOYSFLBOWBAR-UHFFFAOYSA-N
Mol Weight 295.74 g/mol
Molecular Formula C13H10ClNO3S
Exact Mass 295.006992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 71hha6YGfxJ
Name 2-Chloro-4-(thiophene-2-carbonyl)-nicotinic acid ethyl ester
Alternate Name(s) Ethyl 2-chloro-4-(thiophene-2-carbonyl)nicotinate
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Formula C13H10ClNO3S
InChI InChI=1S/C13H10ClNO3S/c1-2-18-13(17)10-8(5-6-15-12(10)14)11(16)9-4-3-7-19-9/h3-7H,2H2,1H3
InChIKey HFHOYSFLBOWBAR-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol802118e
Molecular Weight 295.740 g/mol
SMILES c1c(c(c(nc1)Cl)C(=O)OCC)C(=O)c1sccc1
SPLASH splash10-03di-0790000000-ee167c57c6fef0f7fdd7
Source of Spectrum A1-10-4705/SM12-6a
Wiley ID 1760026