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2-Aminocaprylic acid, N-isobutoxycarbonyl-, decyl ester

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2-Aminocaprylic acid, N-isobutoxycarbonyl-, decyl ester
SpectraBase Compound ID 475dEtLFJI8
InChI InChI=1S/C23H45NO4/c1-5-7-9-11-12-13-14-16-18-27-22(25)21(17-15-10-8-6-2)24-23(26)28-19-20(3)4/h20-21H,5-19H2,1-4H3,(H,24,26)
InChIKey HQWHONDFNOTEQG-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 E1s9vJP8lAE
Name 2-Aminocaprylic acid, N-isobutoxycarbonyl-, 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/c1-5-7-9-11-12-13-14-16-18-27-22(25)21(17-15-10-8-6-2)24-23(26)28-19-20(3)4/h20-21H,5-19H2,1-4H3,(H,24,26)
InChIKey HQWHONDFNOTEQG-UHFFFAOYSA-N
Molecular Weight 399.616 g/mol
SMILES C(CCC(NC(OCC(C)C)=O)C(=O)OCCCCCCCCCC)CCC