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Ethyl (1R,1aR,6bS)-3-methoxy-1a,6b-dihydro-1H-cyclopropa[b]benzofuran-1-carboxylate
SpectraBase Compound ID 88BXkyWw1Aa
InChI InChI=1S/C13H14O4/c1-3-16-13(14)10-9-7-5-4-6-8(15-2)11(7)17-12(9)10/h4-6,9-10,12H,3H2,1-2H3/t9-,10-,12-/m1/s1
InChIKey ALSAPRNCAPEZPG-CKYFFXLPSA-N
Mol Weight 234.25 g/mol
Molecular Formula C13H14O4
Exact Mass 234.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D3yIvt650HV
Name Ethyl (1R,1aR,6bS)-3-methoxy-1a,6b-dihydro-1H-cyclopropa[b]benzofuran-1-carboxylate
Appearance Brown oil
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Formula C13H14O4
InChI InChI=1S/C13H14O4/c1-3-16-13(14)10-9-7-5-4-6-8(15-2)11(7)17-12(9)10/h4-6,9-10,12H,3H2,1-2H3/t9-,10-,12-/m1/s1
InChIKey ALSAPRNCAPEZPG-CKYFFXLPSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201903455
Molecular Weight 234.251 g/mol
SMILES c1cc2c(O[C@@]3([C@@]2([H])[C@]3(C(=O)OCC)[H])[H])c(c1)OC
SPLASH splash10-03di-0910000000-7e9f29e55a4a083ea9f8
Sample Comments >99.9% de, >99.9% ee
Source of Spectrum ACI-58-SM38-5h
Wiley ID 1875362