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(1R,2R,5S,6S)-5-Acetoxy-6-methyl-2-vinyl-1-(1-phenyl-2-ethanolacetate)piperidine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(1R,2R,5S,6S)-5-Acetoxy-6-methyl-2-vinyl-1-(1-phenyl-2-ethanolacetate)piperidine
SpectraBase Compound ID H4G8PCkoFSO
InChI InChI=1S/C20H27NO4/c1-5-18-11-12-20(25-16(4)23)14(2)21(18)19(13-24-15(3)22)17-9-7-6-8-10-17/h5-10,14,18-20H,1,11-13H2,2-4H3/t14-,18-,19-,20-/m0/s1
InChIKey SGJHBUOXRBLEFB-DSYPUSFNSA-N
Mol Weight 345.44 g/mol
Molecular Formula C20H27NO4
Exact Mass 345.194008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2INA3ZrtMSy
Name (1R,2R,5S,6S)-5-Acetoxy-6-methyl-2-vinyl-1-(1-phenyl-2-ethanolacetate)piperidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.194008349 u
Formula C20H27NO4
InChI InChI=1S/C20H27NO4/c1-5-18-11-12-20(25-16(4)23)14(2)21(18)19(13-24-15(3)22)17-9-7-6-8-10-17/h5-10,14,18-20H,1,11-13H2,2-4H3/t14-,18-,19-,20-/m0/s1
InChIKey SGJHBUOXRBLEFB-DSYPUSFNSA-N
Molecular Weight 345.439 g/mol
SMILES [C@@]1(N([C@](CC[C@@]1(OC(=O)C)[H])(C=C)[H])[C@@](COC(=O)C)(C1=CC=CC=C1)[H])(C)[H]