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Acetic acid, (4-formylphenoxy)-, (3R,4R)-3-hydroxy-1-(phenylmethyl)-4-piperidinyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Acetic acid, (4-formylphenoxy)-, (3R,4R)-3-hydroxy-1-(phenylmethyl)-4-piperidinyl ester
SpectraBase Compound ID La1ATXsb77e
InChI InChI=1S/C21H23NO5/c23-14-17-6-8-18(9-7-17)26-15-21(25)27-20-10-11-22(13-19(20)24)12-16-4-2-1-3-5-16/h1-9,14,19-20,24H,10-13,15H2
InChIKey ZKWXEKDAKIPVEI-UHFFFAOYSA-N
Mol Weight 369.42 g/mol
Molecular Formula C21H23NO5
Exact Mass 369.157623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JDUViApctnW
Name Acetic acid, (4-formylphenoxy)-, (3R,4R)-3-hydroxy-1-(phenylmethyl)-4-piperidinyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.157622840 u
Formula C21H23NO5
InChI InChI=1S/C21H23NO5/c23-14-17-6-8-18(9-7-17)26-15-21(25)27-20-10-11-22(13-19(20)24)12-16-4-2-1-3-5-16/h1-9,14,19-20,24H,10-13,15H2
InChIKey ZKWXEKDAKIPVEI-UHFFFAOYSA-N
Molecular Weight 369.417 g/mol
SMILES C1=C(CN2CCC(OC(COC3=CC=C(C=O)C=C3)=O)C(C2)O)C=CC=C1