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dl-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, decyl ester

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

dl-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, decyl ester
SpectraBase Compound ID Fd7SuEoZQUD
InChI InChI=1S/C23H45NO4/c1-5-8-10-11-12-13-14-15-17-27-22(25)18-20(4)24-23(26)28-19-21(7-3)16-9-6-2/h20-21H,5-19H2,1-4H3,(H,24,26)
InChIKey XRLZGHANDQIALO-UHFFFAOYSA-N
Mol Weight 399.6 g/mol
Molecular Formula C23H45NO4
Exact Mass 399.334859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 39U5RKf7f2u
Name dl-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.334858929 u
Formula C23H45NO4
InChI InChI=1S/C23H45NO4/c1-5-8-10-11-12-13-14-15-17-27-22(25)18-20(4)24-23(26)28-19-21(7-3)16-9-6-2/h20-21H,5-19H2,1-4H3,(H,24,26)
InChIKey XRLZGHANDQIALO-UHFFFAOYSA-N
Molecular Weight 399.616 g/mol
SMILES C(CC(NC(OCC(CCCC)CC)=O)C)(OCCCCCCCCCC)=O