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Methyl-3,3-dimethoxy-2-oxo-7-phenylbicyclo[2.2.2]oct-5-en-6-carboxylate
SpectraBase Compound ID J6qyWccWjub
InChI InChI=1S/C18H20O5/c1-21-17(20)14-10-12-9-13(11-7-5-4-6-8-11)15(14)16(19)18(12,22-2)23-3/h4-8,10,12-13,15H,9H2,1-3H3/t12-,13+,15+/m0/s1
InChIKey UIBRFLQWATWTIT-GZBFAFLISA-N
Mol Weight 316.35 g/mol
Molecular Formula C18H20O5
Exact Mass 316.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3aFMCxSnibg
Name Methyl-3,3-dimethoxy-2-oxo-7-phenylbicyclo[2.2.2]oct-5-en-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O5
InChI InChI=1S/C18H20O5/c1-21-17(20)14-10-12-9-13(11-7-5-4-6-8-11)15(14)16(19)18(12,22-2)23-3/h4-8,10,12-13,15H,9H2,1-3H3/t12-,13+,15+/m0/s1
InChIKey UIBRFLQWATWTIT-GZBFAFLISA-N
Molecular Weight 316.353 g/mol
SMILES C=1([C@@]2(C(=O)C([C@](C1)(C[C@@]2(c1ccccc1)[H])[H])(OC)OC)[H])C(=O)OC
SPLASH splash10-000i-1790000000-d0851561b594c5e66a70
Source of Spectrum F-57-307-6
Synonyms Methyl (1S*,4R*,7R*)-3,3-dimethoxy-2-oxo-7-phenylbicyclo[2.2.2]oct-5-en-6-carboxylate Methyl 5,5-dimethoxy-6-oxo-7-phenylbicyclo[2.2.2]oct-2-ene-2-carboxylate
Wiley ID 1549203