Simeconazole

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Systematic / IUPAC Name: 2-(4-Fluorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol

ID: Reference2242

Other Names: 2-(4-Fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-3-(trimethylsilyl)propan-2-ol

Formula: C14H20FN3OSi

Class: Pesticides/Herbicides

Spectral Data

Simeconazole mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/10/2015 1:51:25 PM
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Identificators

InChI InChI=1S/C14H20FN3OSi/c1-20(2,3)9-14(19,8-18-11-16-10-17-18)12-4-6-13(15)7-5-12/h4-7,10-11,19H,8-9H2,1-3H3
InChI Key YABFPHSQTSFWQB-UHFFFAOYSA-N
Canonical SMILES C[Si](C)(C)CC(CN1C=NC=N1)(C2=CC=C(C=C2)F)O
CAS 149508907
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Other Names 2-(4-Fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-3-(trimethylsilyl)propan-2-ol

In Other Databases

PubChem 10085783
Wikipedia Simeconazol (DE)
ChEMBL CHEMBL2252186
ChemSpider 8261320
KEGG C18544