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Ethyl (1R,2R)-2-(2,3-dihydrobenzofuran-4-yl)cyclopropane-1-carboxylate
SpectraBase Compound ID At3LR0Mrzqk
InChI InChI=1S/C14H16O3/c1-2-16-14(15)12-8-11(12)9-4-3-5-13-10(9)6-7-17-13/h3-5,11-12H,2,6-8H2,1H3/t11-,12+/m0/s1
InChIKey ZMOXNJBPBINVIF-NWDGAFQWSA-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 K9K2Crexslo
Name Ethyl (1R,2R)-2-(2,3-dihydrobenzofuran-4-yl)cyclopropane-1-carboxylate
Appearance Colorless oil
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Exact Mass 232.109944372 u
Formula C14H16O3
GC Column RTX-XLB (30 m ?? 0.25 mm, film thickness 0.28 micrometer)
GC Oven Program Oven temp 290oC
InChI InChI=1S/C14H16O3/c1-2-16-14(15)12-8-11(12)9-4-3-5-13-10(9)6-7-17-13/h3-5,11-12H,2,6-8H2,1H3/t11-,12+/m0/s1
InChIKey ZMOXNJBPBINVIF-NWDGAFQWSA-N
Instrument Name Shimadzu GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/anie.201608680
Molecular Weight 232.279 g/mol
SMILES C(C)OC(=O)[C@]1([C@@](C1)(C=1C2=C(C=CC1)OCC2)[H])[H]
SPLASH splash10-001i-0090000000-9871f24f178a2088fa24
Sample Comments >99.9% de, 96% ee
Source of Spectrum ACI-55-SM43-19 (DOI: 10.1002/anie.201608680)
Wiley ID 1899401