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

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

dl-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, 2-ethylhexyl ester
SpectraBase Compound ID CUn8yG6czow
InChI InChI=1S/C21H41NO4/c1-6-10-12-18(8-3)15-25-20(23)14-17(5)22-21(24)26-16-19(9-4)13-11-7-2/h17-19H,6-16H2,1-5H3,(H,22,24)
InChIKey URVNUTJHEVPINU-UHFFFAOYSA-N
Mol Weight 371.6 g/mol
Molecular Formula C21H41NO4
Exact Mass 371.303559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KSK4BXQtBzf
Name dl-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, 2-ethylhexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.303558800 u
Formula C21H41NO4
InChI InChI=1S/C21H41NO4/c1-6-10-12-18(8-3)15-25-20(23)14-17(5)22-21(24)26-16-19(9-4)13-11-7-2/h17-19H,6-16H2,1-5H3,(H,22,24)
InChIKey URVNUTJHEVPINU-UHFFFAOYSA-N
Molecular Weight 371.562 g/mol
SMILES C(CC(NC(OCC(CCCC)CC)=O)C)(OCC(CCCC)CC)=O