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Ethyl (1R,1aR,6bS)-5-fluoro-1a,6b-dihydro-1H-cyclopropa[b]benzofuran-1-carboxylate
SpectraBase Compound ID 9FNA5DmBuAW
InChI InChI=1S/C12H11FO3/c1-2-15-12(14)10-9-7-5-6(13)3-4-8(7)16-11(9)10/h3-5,9-11H,2H2,1H3/t9-,10-,11-/m1/s1
InChIKey KFQAMJFKBIDUGI-GMTAPVOTSA-N
Mol Weight 222.22 g/mol
Molecular Formula C12H11FO3
Exact Mass 222.069222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFM7rCU8iYF
Name Ethyl (1R,1aR,6bS)-5-fluoro-1a,6b-dihydro-1H-cyclopropa[b]benzofuran-1-carboxylate
Appearance White solid
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Formula C12H11FO3
InChI InChI=1S/C12H11FO3/c1-2-15-12(14)10-9-7-5-6(13)3-4-8(7)16-11(9)10/h3-5,9-11H,2H2,1H3/t9-,10-,11-/m1/s1
InChIKey KFQAMJFKBIDUGI-GMTAPVOTSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201903455
Molecular Weight 222.215 g/mol
SMILES c1(cc2c(O[C@@]3([C@@]2([H])[C@]3(C(=O)OCC)[H])[H])cc1)F
SPLASH splash10-0002-0900000000-8fc3948280f3c9d06d2f
Sample Comments >99.9% de, >99.9% ee
Source of Spectrum ACI-58-SM36-5b
Wiley ID 1875356