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(3R*,5R*)-5-Nonyl-3-vinylisoxazolidine-2-carboxylic acid benzyl ester

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

(3R*,5R*)-5-Nonyl-3-vinylisoxazolidine-2-carboxylic acid benzyl ester
SpectraBase Compound ID 1O63mcBcraz
InChI InChI=1S/C22H33NO3/c1-3-5-6-7-8-9-13-16-21-17-20(4-2)23(26-21)22(24)25-18-19-14-11-10-12-15-19/h4,10-12,14-15,20-21H,2-3,5-9,13,16-18H2,1H3
InChIKey OKRCMLKINQQGHJ-UHFFFAOYSA-N
Mol Weight 359.5 g/mol
Molecular Formula C22H33NO3
Exact Mass 359.246044 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2AaGf8hHo2i
Name (3R*,5R*)-5-Nonyl-3-vinylisoxazolidine-2-carboxylic acid benzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.246043924 u
Formula C22H33NO3
InChI InChI=1S/C22H33NO3/c1-3-5-6-7-8-9-13-16-21-17-20(4-2)23(26-21)22(24)25-18-19-14-11-10-12-15-19/h4,10-12,14-15,20-21H,2-3,5-9,13,16-18H2,1H3
InChIKey OKRCMLKINQQGHJ-UHFFFAOYSA-N
Molecular Weight 359.510 g/mol
SMILES C(N1C(CC(O1)CCCCCCCCC)C=C)(OCC1=CC=CC=C1)=O