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1H-1,2,4-Triazole-3-carboxylic acid, 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-, ethyl ester

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

1H-1,2,4-Triazole-3-carboxylic acid, 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-, ethyl ester
SpectraBase Compound ID KUf7uHUUz5E
InChI InChI=1S/C12H8Cl5N3O2/c1-2-22-10(21)9-18-11(12(15,16)17)20(19-9)8-4-3-6(13)5-7(8)14/h3-5H,2H2,1H3
InChIKey GMBRUAIJEFRHFQ-UHFFFAOYSA-N
Mol Weight 403.5 g/mol
Molecular Formula C12H8Cl5N3O2
Exact Mass 400.905915 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 3ygUMcgq4vh
Name 1H-1,2,4-Triazole-3-carboxylic acid, 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-, ethyl ester
CAS Registry Number 103112-35-2
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H8Cl5N3O2
InChI InChI=1S/C12H8Cl5N3O2/c1-2-22-10(21)9-18-11(12(15,16)17)20(19-9)8-4-3-6(13)5-7(8)14/h3-5H,2H2,1H3
InChIKey GMBRUAIJEFRHFQ-UHFFFAOYSA-N
Instrument Name Bruker IFS 85
Purity slightly contaminated
Technique KBr-Pellet