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Methyl (E)-3'-[(1.alpha.,2S*,4.alpha.,8S*)-8-cyano-2,4-dimethoxy-3-oxobicyclo[2.2.2]oct-5-en-2-yl]acrylate
SpectraBase Compound ID BEE8e96liNj
InChI InChI=1S/C16H19NO5/c1-4-22-13(18)6-8-15(20-2)11-5-7-16(21-3,14(15)19)12(9-11)10-17/h5-8,11-12H,4,9H2,1-3H3/b8-6+/t11-,12-,15-,16-/m0/s1
InChIKey VGXPIPJDSGHHJR-FAIZDJMHSA-N
Mol Weight 305.33 g/mol
Molecular Formula C16H19NO5
Exact Mass 305.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GKXcyaTDGKx
Name Methyl (E)-3'-[(1.alpha.,2S*,4.alpha.,8S*)-8-cyano-2,4-dimethoxy-3-oxobicyclo[2.2.2]oct-5-en-2-yl]acrylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO5
InChI InChI=1S/C16H19NO5/c1-4-22-13(18)6-8-15(20-2)11-5-7-16(21-3,14(15)19)12(9-11)10-17/h5-8,11-12H,4,9H2,1-3H3/b8-6+/t11-,12-,15-,16-/m0/s1
InChIKey VGXPIPJDSGHHJR-FAIZDJMHSA-N
Molecular Weight 305.330 g/mol
SMILES [C@@]12(C([C@@](\C=C\C(=O)OCC)(OC)[C@](C=C2)([H])C[C@]1(C#N)[H])=O)OC
SPLASH splash10-0udi-0090000000-a2bd47ccb29cc1f77f83
Source of Spectrum KC-0-571-9
Synonyms Ethyl (E)-3'-[(1.alpha.,2S*,4.alpha.,8S*)-8-cyano-2,4-dimethoxy-3-oxobicyclo[2.2.2]oct-5-en-2-yl]acrylate
Wiley ID 787471