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6-Ethoxy-1-(methoxycarbonyl)cyclohex-2-en-1,4-lactone
SpectraBase Compound ID 2StHRXp1mok
InChI InChI=1S/C11H14O5/c1-3-15-8-6-7-4-5-11(8,9(12)14-2)10(13)16-7/h4-5,7-8H,3,6H2,1-2H3/t7-,8-,11+/m1/s1
InChIKey SHKRMDIFWPSIOZ-XLDPMVHQSA-N
Mol Weight 226.23 g/mol
Molecular Formula C11H14O5
Exact Mass 226.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KnYxgVMfLFM
Name 6-Ethoxy-1-(methoxycarbonyl)cyclohex-2-en-1,4-lactone
Comments Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1227075 moved to the Legacy library
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Formula C11H14O5
InChI InChI=1S/C11H14O5/c1-3-15-8-6-7-4-5-11(8,9(12)14-2)10(13)16-7/h4-5,7-8H,3,6H2,1-2H3/t7-,8-,11+/m1/s1
InChIKey SHKRMDIFWPSIOZ-XLDPMVHQSA-N
Molecular Weight 226.228 g/mol
SMILES [C@]12(C(O[C@](C=C2)(C[C@]1(OCC)[H])[H])=O)C(=O)OC
SPLASH splash10-0umj-2920000000-429446cf9081570e6cf3
Source of Spectrum F-50-4569-11
Synonyms 1-Carbomethoxy-6-ethoxy-7-oxo-8-oxabicyclo[2.2.2]oct-2-ene 8-(Methoxycarbonyl)-1-hydroxy-1-methyl-7-oxo-6-oxabicyclo[2.2.2]octane Methyl 8-ethoxy-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-4-carboxylate
Wiley ID 1821304