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tert-Butyl (1R,1aR,6bS)-1a,6b-dihydro-1H-cyclopropa[b]benzofuran-1-carboxylate
SpectraBase Compound ID B5wTUbpcCDj
InChI InChI=1S/C14H16O3/c1-14(2,3)17-13(15)11-10-8-6-4-5-7-9(8)16-12(10)11/h4-7,10-12H,1-3H3/t10-,11-,12-/m1/s1
InChIKey VDCIFNOQROTXRC-IJLUTSLNSA-N
Mol Weight 232.28 g/mol
Molecular Formula C14H16O3
Exact Mass 232.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KJQp6iltjVT
Name tert-Butyl (1R,1aR,6bS)-1a,6b-dihydro-1H-cyclopropa[b]benzofuran-1-carboxylate
Appearance Yellow oil
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Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-14(2,3)17-13(15)11-10-8-6-4-5-7-9(8)16-12(10)11/h4-7,10-12H,1-3H3/t10-,11-,12-/m1/s1
InChIKey VDCIFNOQROTXRC-IJLUTSLNSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201903455
Molecular Weight 232.279 g/mol
SMILES c1cc2c(O[C@@]3([C@@]2([H])[C@]3(C(=O)OC(C)(C)C)[H])[H])cc1
SPLASH splash10-001i-0900000000-54bda672c1d4d3b2df34
Sample Comments >99.9% de, >99.9% ee
Source of Spectrum ACI-58-SM34-3b
Wiley ID 1875347