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2,2-Dimethyl-8-(2-fluoro-phenyl)-4-(1,2,4-triazolyl)-3-octanol

View entire compound with spectra: 1 NMR, 5 FTIR, and 2 MS (GC)

2,2-Dimethyl-8-(2-fluoro-phenyl)-4-(1,2,4-triazolyl)-3-octanol
SpectraBase Compound ID JII6VaSsmVO
InChI InChI=1S/C18H26FN3O2/c1-18(2,3)17(23)15(22-13-20-12-21-22)9-6-7-11-24-16-10-5-4-8-14(16)19/h4-5,8,10,12-13,15,17,23H,6-7,9,11H2,1-3H3
InChIKey PDXFUJVIOGGQKV-UHFFFAOYSA-N
Mol Weight 335.42 g/mol
Molecular Formula C18H26FN3O2
Exact Mass 335.200905 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 8buiTba3ML3
Name 1H-1,2,4-Triazole-1-ethanol, alpha-(1,1-dimethylethyl)-beta-[4-(2-fluorophenoxy)butyl]-
CAS Registry Number 95353-88-1
Comments Diastereomer:56163,35472 56164,63853
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Formula C18H26FN3O2
InChI InChI=1S/C18H26FN3O2/c1-18(2,3)17(23)15(22-13-20-12-21-22)9-6-7-11-24-16-10-5-4-8-14(16)19/h4-5,8,10,12-13,15,17,23H,6-7,9,11H2,1-3H3
InChIKey PDXFUJVIOGGQKV-UHFFFAOYSA-N
Instrument Name Bruker IFS 85
Synonyms 2,2-Dimethyl-8-(2-fluorophenyl)-4-(1,2,4-triazolyl)-3-octanol
Technique KBr-Pellet