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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D9a2xUB5vn2
Name 8-(2-fluoranylphenoxy)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)octan-3-ol
Alternate Name(s) 8-(2-fluorophenoxy)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)-3-octanol 8-(2-fluorophenoxy)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)octan-3-ol
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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
Molecular Weight 335.423 g/mol
SMILES OC(C(CCCCOc1c(cccc1)F)[n]1ncnc1)C(C)(C)C
SPLASH splash10-0079-9510000000-b12463c6f749f5e85602
Wiley ID 1471720