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2-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)bicyclo[2.2.2]octan-2-ol
SpectraBase Compound ID 2U7lBo9Y2fN
InChI InChI=1S/C15H16F2O3/c16-15(17)19-12-6-5-11(7-13(12)20-15)14(18)8-9-1-3-10(14)4-2-9/h5-7,9-10,18H,1-4,8H2/t9-,10+,14-/m0/s1
InChIKey YIUQYRXQBXNZJE-UHFFFAOYSA-N
Mol Weight 282.29 g/mol
Molecular Formula C15H16F2O3
Exact Mass 282.106751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LCnvisugHAo
Name 2-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)bicyclo[2.2.2]octan-2-ol
Appearance Colorless oil
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Formula C15H16F2O3
InChI InChI=1S/C15H16F2O3/c16-15(17)19-12-6-5-11(7-13(12)20-15)14(18)8-9-1-3-10(14)4-2-9/h5-7,9-10,18H,1-4,8H2/t9-,10+,14-/m0/s1
InChIKey YIUQYRXQBXNZJE-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700
Ionization Type EI pos
Literature Reference DOI 10.1002/anie.201810327
Molecular Weight 282.287 g/mol
Reported Formula C15H16F2O3
SMILES O[C@@]1([C@]2(CC[C@](CC2)(C1)[H])[H])c1ccc2c(c1)OC(O2)(F)F
SPLASH splash10-0f79-0590000000-1f18e068b09fcfc66837
Source of Spectrum ACI-58-SM47-12b
Thin-Layer Chromatography Rf = 0.38 (hexane/EtOAc 90:10, UV, KMnO4, PAA)
Wiley ID 1840504