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5-Chlorodifluoromethyl-1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID LNtBfQrDC2E
InChI InChI=1S/C12H9ClF2N4O4/c1-2-23-11(20)9-10(12(13,14)15)18(17-16-9)7-3-5-8(6-4-7)19(21)22/h3-6H,2H2,1H3
InChIKey QDELWIVYTRAQEI-UHFFFAOYSA-N
Mol Weight 346.68 g/mol
Molecular Formula C12H9ClF2N4O4
Exact Mass 346.028039 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A5lqPZbh0op
Name 5-Chlorodifluoromethyl-1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester
Alternate Name(s) 5-[chloro(difluoro)methyl]-1-(4-nitrophenyl)-4-triazolecarboxylic acid ethyl ester Ethyl 5-[chloro(difluoro)methyl]-1-(4-nitrophenyl)triazole-4-carboxylate Ethyl 5-[chloranyl-bis(fluoranyl)methyl]-1-(4-nitrophenyl)-1,2,3-triazole-4-carboxylate
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Formula C12H9ClF2N4O4
InChI InChI=1S/C12H9ClF2N4O4/c1-2-23-11(20)9-10(12(13,14)15)18(17-16-9)7-3-5-8(6-4-7)19(21)22/h3-6H,2H2,1H3
InChIKey QDELWIVYTRAQEI-UHFFFAOYSA-N
Molecular Weight 346.678 g/mol
SMILES c1(c(nn[n]1-c1ccc(N(=O)=O)cc1)C(=O)OCC)C(Cl)(F)F
SPLASH splash10-002u-9541000000-ee41499a67567a5e69d2
Source of Spectrum F-59-4400-3ac
Wiley ID 1678222