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(1S*,4R*,8R*)-Methyl 8-Cyano-6,6-dimethoxy-5-oxobicyclo[2.2.2]oct-2-ene-2-carboxylate
SpectraBase Compound ID 8GW89hwpTSI
InChI InChI=1S/C13H15NO5/c1-17-12(16)9-5-8-7(6-14)4-10(9)13(18-2,19-3)11(8)15/h5,7-8,10H,4H2,1-3H3/t7-,8+,10-/m0/s1
InChIKey SFLCFDYUBLBBMC-XKSSXDPKSA-N
Mol Weight 265.26 g/mol
Molecular Formula C13H15NO5
Exact Mass 265.095023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FIWcRhpbY2q
Name (1S*,4R*,8R*)-Methyl 8-Cyano-6,6-dimethoxy-5-oxobicyclo[2.2.2]oct-2-ene-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO5
InChI InChI=1S/C13H15NO5/c1-17-12(16)9-5-8-7(6-14)4-10(9)13(18-2,19-3)11(8)15/h5,7-8,10H,4H2,1-3H3/t7-,8+,10-/m0/s1
InChIKey SFLCFDYUBLBBMC-XKSSXDPKSA-N
Molecular Weight 265.265 g/mol
SMILES C1([C@@]2(C(C(=O)OC)=C[C@@](C1=O)([C@](C#N)(C2)[H])[H])[H])(OC)OC
SPLASH splash10-0006-1960000000-56c1c2b43cd3d7d7d994
Source of Spectrum F-59-4044-4a
Wiley ID 1678076