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Ethyl (1R,1aR,6bS)-3-bromo-5-fluoro-1a,6b-dihydro-1H-cyclopropa[b]benzofuran-1-carboxylate
SpectraBase Compound ID 8ONw5agIR25
InChI InChI=1S/C12H10BrFO3/c1-2-16-12(15)9-8-6-3-5(14)4-7(13)10(6)17-11(8)9/h3-4,8-9,11H,2H2,1H3/t8-,9-,11-/m1/s1
InChIKey FHENMMNKOBQOHA-FXPVBKGRSA-N
Mol Weight 301.11 g/mol
Molecular Formula C12H10BrFO3
Exact Mass 299.979735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6lEv0Lb9DYv
Name Ethyl (1R,1aR,6bS)-3-bromo-5-fluoro-1a,6b-dihydro-1H-cyclopropa[b]benzofuran-1-carboxylate
Appearance clear oil
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Formula C12H10BrFO3
InChI InChI=1S/C12H10BrFO3/c1-2-16-12(15)9-8-6-3-5(14)4-7(13)10(6)17-11(8)9/h3-4,8-9,11H,2H2,1H3/t8-,9-,11-/m1/s1
InChIKey FHENMMNKOBQOHA-FXPVBKGRSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201903455
Molecular Weight 301.111 g/mol
SMILES c1(cc2c(O[C@@]3([C@@]2([H])[C@]3(C(=O)OCC)[H])[H])c(c1)Br)F
SPLASH splash10-004i-0192000000-5ed9d1722b7bb7444eda
Sample Comments >99.9% de, >99.9% ee
Source of Spectrum ACI-58-SM39-5i
Wiley ID 1875363