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(1S,2S,4S,5R)-2-(Acetoxymethyl)-5-ethenyl-1-azaicyclo[2.2.2]octane

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(1S,2S,4S,5R)-2-(Acetoxymethyl)-5-ethenyl-1-azaicyclo[2.2.2]octane
SpectraBase Compound ID DdZp0xiivk6
InChI InChI=1S/C12H19NO2/c1-3-10-7-13-5-4-11(10)6-12(13)8-15-9(2)14/h3,10-12H,1,4-8H2,2H3/t10-,11-,12-/m0/s1
InChIKey HEKSSUMGDJQCFA-SRVKXCTJSA-N
Mol Weight 209.29 g/mol
Molecular Formula C12H19NO2
Exact Mass 209.141579 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Is3pmoQCOU4
Name (1S,2S,4S,5R)-2-(Acetoxymethyl)-5-ethenyl-1-azaicyclo[2.2.2]octane
Comments Computed using HOSE algorithm
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Exact Mass 209.141578854 u
Formula C12H19NO2
InChI InChI=1S/C12H19NO2/c1-3-10-7-13-5-4-11(10)6-12(13)8-15-9(2)14/h3,10-12H,1,4-8H2,2H3/t10-,11-,12-/m0/s1
InChIKey HEKSSUMGDJQCFA-SRVKXCTJSA-N
Molecular Weight 209.289 g/mol
SMILES [C@]1(N2CC[C@](C1)([H])[C@](C2)(C=C)[H])(COC(=O)C)[H]