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Ethyl (1R*,5S*,9R*)-5-(3'-butenyl)-9-hydroxy-9-(2''-propenyl)-3-azabicyclo[3.3.1]nonane-1-carboxylate

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Ethyl (1R*,5S*,9R*)-5-(3'-butenyl)-9-hydroxy-9-(2''-propenyl)-3-azabicyclo[3.3.1]nonane-1-carboxylate
SpectraBase Compound ID JwzyjZKZyKg
InChI InChI=1S/C20H33NO3/c1-5-9-12-18-13-10-14-19(17(22)24-8-4,16-21(7-3)15-18)20(18,23)11-6-2/h5-6,23H,1-2,7-16H2,3-4H3/t18-,19+,20-/m1/s1
InChIKey WOFGZHMKKRPTGR-HSALFYBXSA-N
Mol Weight 335.5 g/mol
Molecular Formula C20H33NO3
Exact Mass 335.246044 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KzcWxrRmsvU
Name Ethyl (1R*,5S*,9R*)-5-(3'-butenyl)-9-hydroxy-9-(2''-propenyl)-3-azabicyclo[3.3.1]nonane-1-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.246043924 u
Formula C20H33NO3
InChI InChI=1S/C20H33NO3/c1-5-9-12-18-13-10-14-19(17(22)24-8-4,16-21(7-3)15-18)20(18,23)11-6-2/h5-6,23H,1-2,7-16H2,3-4H3/t18-,19+,20-/m1/s1
InChIKey WOFGZHMKKRPTGR-HSALFYBXSA-N
Molecular Weight 335.488 g/mol
SMILES C1[C@]2(CCC=C)CN(C[C@@](C(OCC)=O)([C@]2(CC=C)O)CC1)CC