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1-(4,5-Dimethylcarbonyl)-1,2,3-triazol-1-yl)-4-nitro-2-fluorobenzene
SpectraBase Compound ID 2megQqxPAxW
InChI InChI=1S/C12H9FN4O6/c1-22-11(18)9-10(12(19)23-2)16(15-14-9)8-4-3-6(17(20)21)5-7(8)13/h3-5H,1-2H3
InChIKey NXYCZIRNIGNHKH-UHFFFAOYSA-N
Mol Weight 324.22 g/mol
Molecular Formula C12H9FN4O6
Exact Mass 324.050612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uf8LLCUue
Name 1-(4,5-Dimethylcarbonyl)-1,2,3-triazol-1-yl)-4-nitro-2-fluorobenzene
Alternate Name(s) Dimethyl 1-(2-fluoro-4-nitrophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
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Formula C12H9FN4O6
InChI InChI=1S/C12H9FN4O6/c1-22-11(18)9-10(12(19)23-2)16(15-14-9)8-4-3-6(17(20)21)5-7(8)13/h3-5H,1-2H3
InChIKey NXYCZIRNIGNHKH-UHFFFAOYSA-N
Molecular Weight 324.224 g/mol
SMILES c1([n](nnc1C(=O)OC)-c1c(cc(N(=O)=O)cc1)F)C(=O)OC
SPLASH splash10-0cdi-2790000000-3c9c62d839bf67efa248
Source of Spectrum O1-33-1474-17
Wiley ID 819252