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4'-(trifluoromethoxy)-3,4-dihydro-[1,1'-biphenyl]-1(2H)-ol
SpectraBase Compound ID 8Lnj9TJ6KkO
InChI InChI=1S/C13H13F3O2/c14-13(15,16)18-11-6-4-10(5-7-11)12(17)8-2-1-3-9-12/h2,4-8,17H,1,3,9H2
InChIKey AGLDUBWAXUBUPV-UHFFFAOYSA-N
Mol Weight 258.24 g/mol
Molecular Formula C13H13F3O2
Exact Mass 258.086764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Qsg6vO5ueO
Name 4'-(trifluoromethoxy)-3,4-dihydro-[1,1'-biphenyl]-1(2H)-ol
Appearance Colourless oil
Carrier Gas Nitrogen
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Exact Mass 258.086764146 u
Formula C13H13F3O2
InChI InChI=1S/C13H13F3O2/c14-13(15,16)18-11-6-4-10(5-7-11)12(17)8-2-1-3-9-12/h2,4-8,17H,1,3,9H2
InChIKey AGLDUBWAXUBUPV-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201709553
Molecular Weight 258.240 g/mol
Quality 239
Reported Formula C13H13F3O2
SMILES OC1(C2=CC=C(OC(F)(F)F)C=C2)CCCC=C1
SPLASH splash10-0f96-0950000000-843ed15f5f416529c5c1
Source of Spectrum ACI-56-SM23-10j (DOI: 10.1002/anie.201709553)
Thin-Layer Chromatography 0.18 (SiO2, i-hexane/EtOAc, 9:1)
Wiley ID 1896734