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2,2,2-trifluoroethyl (1R,1aR,6bS)-1a,6b-dihydro-1H-cyclopropa[b]benzofuran-1-carboxylate
SpectraBase Compound ID Gte74JK5fBP
InChI InChI=1S/C12H9F3O3/c13-12(14,15)5-17-11(16)9-8-6-3-1-2-4-7(6)18-10(8)9/h1-4,8-10H,5H2/t8-,9-,10-/m1/s1
InChIKey MUKWCBVPDIREJJ-OPRDCNLKSA-N
Mol Weight 258.2 g/mol
Molecular Formula C12H9F3O3
Exact Mass 258.050379 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1v3VtA3NYaN
Name 2,2,2-trifluoroethyl (1R,1aR,6bS)-1a,6b-dihydro-1H-cyclopropa[b]benzofuran-1-carboxylate
Appearance Yellow oil
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Formula C12H9F3O3
InChI InChI=1S/C12H9F3O3/c13-12(14,15)5-17-11(16)9-8-6-3-1-2-4-7(6)18-10(8)9/h1-4,8-10H,5H2/t8-,9-,10-/m1/s1
InChIKey MUKWCBVPDIREJJ-OPRDCNLKSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201903455
Molecular Weight 258.196 g/mol
SMILES c1cc2c(O[C@@]3([C@@]2([H])[C@]3(C(=O)OCC(F)(F)F)[H])[H])cc1
SPLASH splash10-001i-0900000000-230d5c2f39b7b0a43f50
Sample Comments >99.9% de, >99.9% ee
Source of Spectrum ACI-58-SM35-3d
Wiley ID 1875349