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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xXrxFDbWea
Name Fenchlorazole-ethyl
Source of Sample Sigma-Aldrich Cat. #31548
CAS Registry Number 103112-35-2
Classification Pesticides: Herbicides
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 400.905915008 u
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
Molecular Weight 403.480 g/mol
Number of Peaks 280
RI1 2497
SMILES c1(Cl)c(-[n]2nc(C(=O)OCC)nc2C(Cl)(Cl)Cl)ccc(c1)Cl
SPLASH splash10-03e9-2978000000-a6d0b1a161f7368cef0d
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1H-1,2,4-Triazole-3-carboxylic acid, 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-, ethyl ester
Wiley ID LM_PEST_753