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Methyl 2-(bromomethyl)-4-(2'-nitrophenyl)-5-oxo-1,4,5,7-tetrahydro-furo[3,4-b]pyridine-3-carboxylate
SpectraBase Compound ID 9FzjGRcqFc3
InChI InChI=1S/C16H13BrN2O6/c1-24-15(20)13-9(6-17)18-10-7-25-16(21)14(10)12(13)8-4-2-3-5-11(8)19(22)23/h2-5,12,18H,6-7H2,1H3
InChIKey AKQLIBDUXRSMGK-UHFFFAOYSA-N
Mol Weight 409.19 g/mol
Molecular Formula C16H13BrN2O6
Exact Mass 407.995699 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1LmjalsCj8G
Name Methyl 2-(bromomethyl)-4-(2'-nitrophenyl)-5-oxo-1,4,5,7-tetrahydro-furo[3,4-b]pyridine-3-carboxylate
Alternate Name(s) methyl 2-(bromomethyl)-4-(2-nitrophenyl)-5-oxo-1,4,5,7-tetrahydrofuro[3,4-b]pyridine-3-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C16H13BrN2O6
InChI InChI=1S/C16H13BrN2O6/c1-24-15(20)13-9(6-17)18-10-7-25-16(21)14(10)12(13)8-4-2-3-5-11(8)19(22)23/h2-5,12,18H,6-7H2,1H3
InChIKey AKQLIBDUXRSMGK-UHFFFAOYSA-N
Molecular Weight 409.192 g/mol
SMILES N1C2=C(C(C(=C1CBr)C(=O)OC)c1c(N(=O)=O)cccc1)C(OC2)=O
SPLASH splash10-014i-0090100000-ae2a93bea406f77fc4e5
Source of Spectrum D8-324-108-5
Wiley ID 1513969