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Tebuconazole
SpectraBase Compound ID Cox3idFsqzY
InChI InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3
InChIKey PXMNMQRDXWABCY-UHFFFAOYSA-N
Mol Weight 307.82 g/mol
Molecular Formula C16H22ClN3O
Exact Mass 307.14514 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 2xU25scoJOc
Name Tebuconazole
Source of Sample Cayman Chemical Company
Catalog Number 24052
Lot Number 0528103-1
CAS Registry Number 107534-96-3
Cell Type NMR tube
Compound Type Pure
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Formula C16H22ClN3O
IUPAC Name α-[2-(4-Chlorophenyl)ethyl]-α-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol
InChI InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3
InChIKey PXMNMQRDXWABCY-UHFFFAOYSA-N
Raman Corrections Referenced to internal white light source; 180 degree backscatter
Raman Laser Power 1002 mW
Raman Laser Source Nd:YAG
SMILES OC(CCc1ccc(cc1)Cl)(C[n]1cncn1)C(C)(C)C
Scans Performed 2112
Source of Spectrum Forensic Spectral Research
Synonyms BAY HWG-1608
Technique FT-Raman