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(2R)-2-(1-oxobutoxymethyl)-1-piperidinecarboxylic acid (phenylmethyl) ester

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

(2R)-2-(1-oxobutoxymethyl)-1-piperidinecarboxylic acid (phenylmethyl) ester
SpectraBase Compound ID 68rWTQqQ5n6
InChI InChI=1S/C18H25NO4/c1-2-8-17(20)22-14-16-11-6-7-12-19(16)18(21)23-13-15-9-4-3-5-10-15/h3-5,9-10,16H,2,6-8,11-14H2,1H3/t16-/m1/s1
InChIKey IAKNMDWLFPBIIT-MRXNPFEDSA-N
Mol Weight 319.4 g/mol
Molecular Formula C18H25NO4
Exact Mass 319.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1kIRTPB4wE5
Name (2R)-2-(1-Oxobutoxymethyl)-1-piperidinecarboxylic acid (phenylmethyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.178358285 u
Formula C18H25NO4
InChI InChI=1S/C18H25NO4/c1-2-8-17(20)22-14-16-11-6-7-12-19(16)18(21)23-13-15-9-4-3-5-10-15/h3-5,9-10,16H,2,6-8,11-14H2,1H3/t16-/m1/s1
InChIKey IAKNMDWLFPBIIT-MRXNPFEDSA-N
Molecular Weight 319.401 g/mol
SMILES C(N1[C@@](COC(=O)CCC)(CCCC1)[H])(OCC=1C=CC=CC1)=O