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Thieno[3,4-b]pyridine-3-carboxylic acid, 5-trifluoromethyl-7-(2-methoxycarbonyl-3-thienyloxy)-, methyl ester
SpectraBase Compound ID ij7AN3iSfG
InChI InChI=1S/C16H10F3NO5S2/c1-23-14(21)12-8(3-4-26-12)25-9-5-10(16(17,18)19)20-11-7(9)6-27-13(11)15(22)24-2/h3-6H,1-2H3
InChIKey NEZAMUSKFHIJAM-UHFFFAOYSA-N
Mol Weight 417.37 g/mol
Molecular Formula C16H10F3NO5S2
Exact Mass 416.995249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8M26oalbv82
Name Thieno[3,4-b]pyridine-3-carboxylic acid, 5-trifluoromethyl-7-(2-methoxycarbonyl-3-thienyloxy)-, methyl ester
Alternate Name(s) 4-[(2-carbomethoxy-3-thienyl)oxy]-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylic acid methyl ester 4-[(2-methoxycarbonyl-3-thiophenyl)oxy]-2-(trifluoromethyl)-7-thieno[3,4-b]pyridinecarboxylic acid methyl ester Methyl 4-(2-methoxycarbonylthiophen-3-yl)oxy-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate Methyl 4-[(2-methoxycarbonyl-3-thienyl)oxy]-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate
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Formula C16H10F3NO5S2
InChI InChI=1S/C16H10F3NO5S2/c1-23-14(21)12-8(3-4-26-12)25-9-5-10(16(17,18)19)20-11-7(9)6-27-13(11)15(22)24-2/h3-6H,1-2H3
InChIKey NEZAMUSKFHIJAM-UHFFFAOYSA-N
Molecular Weight 417.373 g/mol
SMILES c12c(c(Oc3c(C(=O)OC)scc3)cc(n1)C(F)(F)F)csc2C(=O)OC
SPLASH splash10-029i-0090000000-d7bbb1e003564460c17c
Source of Spectrum AD-0-2532-0
Wiley ID 1429479