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Bitertanol
SpectraBase Compound ID 7IlACdlNTMk
InChI InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3
InChIKey VGPIBGGRCVEHQZ-UHFFFAOYSA-N
Mol Weight 337.42 g/mol
Molecular Formula C20H23N3O2
Exact Mass 337.179027 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID L38rVRTRUpP
Name Bitertanol
Source of Sample Cayman Chemical Company
Catalog Number 24054
Lot Number 0528200-1
CAS Registry Number 55179-31-2
Cell Type NMR tube
Compound Type Pure
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Formula C20H23N3O2
IUPAC Name β-([1,1'-Biphenyl]-4-yloxy)-α-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol
InChI InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3
InChIKey VGPIBGGRCVEHQZ-UHFFFAOYSA-N
Raman Corrections Referenced to internal white light source; 180 degree backscatter
Raman Laser Power 1200 mW
Raman Laser Source Nd:YAG
SMILES OC(C(Oc1ccc(-c2ccccc2)cc1)[n]1ncnc1)C(C)(C)C
Scans Performed 2944
Source of Spectrum Forensic Spectral Research
Synonyms Biloxazol
Technique FT-Raman