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5-Bromodifluoromethyl-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID PQU1Lu3kl4
InChI InChI=1S/C12H10BrF2N3O2/c1-2-20-11(19)9-10(12(13,14)15)18(17-16-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey QHWDXDUKLHCCMD-UHFFFAOYSA-N
Mol Weight 346.13 g/mol
Molecular Formula C12H10BrF2N3O2
Exact Mass 344.992446 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BIyw0g9FSJ
Name 5-Bromodifluoromethyl-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid ethyl ester
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Formula C12H10BrF2N3O2
InChI InChI=1S/C12H10BrF2N3O2/c1-2-20-11(19)9-10(12(13,14)15)18(17-16-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey QHWDXDUKLHCCMD-UHFFFAOYSA-N
Molecular Weight 346.132 g/mol
SMILES c1(c(nn[n]1-c1ccccc1)C(=O)OCC)C(F)(F)Br
SPLASH splash10-00bd-9757000000-28b62a96ab03207005d3
Source of Spectrum F-59-4399-3ba
Synonyms 5-[bromo(difluoro)methyl]-1-phenyl-4-triazolecarboxylic acid ethyl ester Ethyl 5-[bromo(difluoro)methyl]-1-phenyltriazole-4-carboxylate Ethyl 5-[bromo(difluoro)methyl]-1-phenyl-triazole-4-carboxylate Ethyl 5-[bromanyl-bis(fluoranyl)methyl]-1-phenyl-1,2,3-triazole-4-carboxylate
Wiley ID 1678225