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5-OXO-1-AZABICYCLO-[2.2.2]-OCT-2-ENE-3-CARBOXYLIC-ACID-METHYLESTER
SpectraBase Compound ID Eh748YT76hf
InChI InChI=1S/C9H11NO3/c1-13-9(12)7-4-10-3-2-6(7)8(11)5-10/h4,6H,2-3,5H2,1H3/t6-/m0/s1
InChIKey PODDSXHVTVLCJW-LURJTMIESA-N
Mol Weight 181.19 g/mol
Molecular Formula C9H11NO3
Exact Mass 181.073893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9HdBvTKnnOL
Name 5-OXO-1-AZABICYCLO-[2.2.2]-OCT-2-ENE-3-CARBOXYLIC-ACID-METHYLESTER
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H11NO3
InChI InChI=1S/C9H11NO3/c1-13-9(12)7-4-10-3-2-6(7)8(11)5-10/h4,6H,2-3,5H2,1H3/t6-/m0/s1
InChIKey PODDSXHVTVLCJW-LURJTMIESA-N
Literature Reference Author C.K.M.CLURE,A.J.KIESSLING,J.S.LINK
Literature Reference Citation ORG.LETTERS,5,3811(2003)
Literature Reference DOI 10.1021/ol035202p
Molecular Weight 181.191 g/mol
Sample ID 33995
Solvent CDCl3