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Hexaconazole
SpectraBase Compound ID EF0Mkw5XorG
InChI InChI=1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3
InChIKey STMIIPIFODONDC-UHFFFAOYSA-N
Mol Weight 314.22 g/mol
Molecular Formula C14H17Cl2N3O
Exact Mass 313.074868 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 8G7NjK1LkA1
Name Hexaconazole
Source of Sample Cayman Chemical Company
Catalog Number 24118
Lot Number 0528106-1
Accessory DurasamplIR II
Apodization Function Norton-Beer, medium
CAS Registry Number 79983-71-4
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Formula C14H17Cl2N3O
IUPAC Name α-Butyl-α-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol
InChI InChI=1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3
InChIKey STMIIPIFODONDC-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
SMILES OC(C[n]1ncnc1)(CCCC)c1ccc(cc1Cl)Cl
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Synonyms (+/-)-Hexaconazole
Technique ATR-Neat